Butane

Butane

SCHEMBL15549607

CCC(C)OC(=O)CC(=O)O.CCCC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LMNA P02545 2/20 0.34
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL151702 0.96 FAAH (0.40) FAAHCNR1CNR2EPHX2MAPT
SCHEMBL28875951 0.94 MAPT (0.39) FAAHCNR1CNR2EPHX2MAPT
SCHEMBL28314576 0.94 FAAH (0.39) FAAHCNR1CNR2EPHX2MAPT
Methane SCHEMBL15437870 0.94 FAAH (0.39) FAAHCNR1CNR2EPHX2MAPT
Ethane SCHEMBL15437842 0.94 FAAH (0.39) FAAHCNR1CNR2EPHX2MAPT
Hydrochloric Acid SCHEMBL10612981 0.94 FAAH (0.39) FAAHCNR1CNR2EPHX2MAPT
SCHEMBL7027311 0.94 FAAH (0.39) FAAHCNR1CNR2EPHX2MAPT
SCHEMBL155564 0.86 FAAH (0.44) FAAHCNR1CNR2EPHX2MAPT
Butane SCHEMBL8404111 0.86 FAAH (0.47) FAAHCNR1CNR2EPHX2MAPT
SCHEMBL241530 0.84 FAAH (0.43) FAAHCNR1CNR2EPHX2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605622-A Aliphatic polyester with malonic acid structure and preparation method and application thereof 苏州瀚海新材料有限公司 2022-06-10 CN claimed
US-11884624-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2024-01-30 US disclosed
US-20230050318-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2023-02-16 US disclosed
CN-114605622-A Aliphatic polyester with malonic acid structure and preparation method and application thereof 苏州瀚海新材料有限公司 2022-06-10 CN disclosed
US-11345690-B2 Methods of synthesizing a difluorolactam analog CAYMAN CHEMICAL COMPANY, INC. (US) 2022-05-31 US disclosed
US-20220127252-A9 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG CAYMAN CHEMICAL CO INC (US) 2022-04-28 US disclosed
US-11066361-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2021-07-20 US disclosed
CN-107802623-B Difluorolactam compositions for EP 4-mediated bone-related diseases and disorders 开曼化学股份有限公司 2020-10-30 CN disclosed
US-10729810-B2 Methods, systems, and compositions for promoting bone growth CAYMAN CHEMICAL COMPANY, INC (US) 2020-08-04 US disclosed
CN-106748951-B Difluorolactam compounds as EP4 receptor selective agonists for use in the treatment of EP4 mediated diseases and conditions 开曼化学股份有限公司 2020-07-24 CN disclosed
US-20150175538-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2015-06-25 US disclosed
US-20150174099-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-06-25 US disclosed
EP-2875022-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS Cayman Chemical Company, Incorporated (US) 2015-05-27 EP disclosed
EP-2874620-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS Cayman Chemical Company, Incorporated (US) 2015-05-27 EP disclosed
WO-2015009991-A2 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH CAYMAN CHEMICAL COMPANY, INC. (US) 2015-01-22 WO disclosed
WO-2014144610-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. (US) 2014-09-18 WO disclosed
WO-2014144500-A2 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG CAYMAN CHEMICAL COMPANY, INC. (US) 2014-09-18 WO disclosed
WO-2014144584-A2 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. (US) 2014-09-18 WO disclosed
WO-2014015246-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. (US) 2014-01-23 WO disclosed
WO-2014015247-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. (US) 2014-01-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230050318-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 FAAH 240/4885CNR1 108/4885CNR2 115/4885
US-11066361-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions PTGER4, PTGER1, PTGER3 FAAH 240/4885CNR1 108/4885CNR2 115/4885
US-20150175538-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 FAAH 240/4885CNR1 108/4885CNR2 115/4885
US-20150174099-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 FAAH 913/4885CNR1 1052/4885CNR2 1482/4885
US-11884624-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions PTGER4, PTGER1, PTGER3 FAAH 240/4885CNR1 108/4885CNR2 115/4885
US-11345690-B2 Methods of synthesizing a difluorolactam analog PTGER4, PTGER1, PTGIR FAAH 363/4885CNR1 129/4885CNR2 270/4885
US-20220127252-A9 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG PTGER4, PTGER1, PTGIR FAAH 363/4885CNR1 129/4885CNR2 270/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.