SCHEMBL16844620

SCHEMBL16844620

CC/C=C\c1ccc(C)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 6/20 0.41
LMNA P02545 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TNFRSF1A P19438 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13969499 1.00 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL13872440 0.86 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL24800469 0.83 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL19347351 0.83 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL12307008 0.81 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL13226178 0.81 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL21392017 0.80 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL14433026 0.79 PTGS1 (0.59) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL13946976 0.78 MAPT (0.44) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL16092639 0.77 ALDH1A1 (0.42) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701630-B2 Difluorolactam compositions for EP4-mediated osteo related diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2017-07-11 US disclosed
US-9688627-B2 Lactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2017-06-27 US disclosed
US-9676712-B2 Lactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2017-06-13 US disclosed
US-20170066751-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2017-03-09 US disclosed
US-20160340306-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2016-11-24 US disclosed
US-9487478-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2016-11-08 US disclosed
US-9440919-B2 Difluorolactam compositions for EP4-mediated osteo related diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2016-09-13 US disclosed
US-20160158413-A1 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH CAYMAN CHEMICAL COMPANY, INC. (US) 2016-06-09 US disclosed
US-20160060216-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2016-03-03 US disclosed
US-20160031811-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2016-02-04 US disclosed
US-20160024006-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2016-01-28 US disclosed
US-9180116-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2015-11-10 US 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

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-20150175538-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 MAPT 3228/4885RAB9A 1019/4885NPC1 1696/4885
US-20160031811-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 MAPT 3099/4885RAB9A 1467/4885NPC1 2535/4885
US-20150174099-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 MAPT 3951/4885RAB9A 748/4885NPC1 1780/4885
US-20160024006-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 MAPT 3228/4885RAB9A 1019/4885NPC1 1696/4885
US-20160340306-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 MAPT 4487/4885RAB9A 1086/4885NPC1 1708/4885
US-20170066751-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 MAPT 3228/4885RAB9A 1019/4885NPC1 1696/4885
US-20160060216-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 MAPT 3244/4885RAB9A 1547/4885NPC1 2490/4885

“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.