SCHEMBL17475159

SCHEMBL17475159

COC(=O)Cc1ccc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
POLB P06746 1/20 0.34
TMPRSS11D O60235 1/20 0.34

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
SCHEMBL17475162 1.00 ITGA4 (0.43) ITGA4ITGB7CYP4F2CYP4A11MAPT
SCHEMBL17487071 0.84 CYP4F2 (0.41) CYP4F2CYP4A11MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10324478 0.76 ITGA4 (0.54) ITGA4ITGB7MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL10324479 0.76 ITGA4 (0.54) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL25262780 0.76 CYP4F2 (0.60) CYP4F2CYP4A11MAPTLMNASMN1; SMN2
SCHEMBL16401202 0.76 CYP4F2 (0.45) CYP4F2CYP4A11MAPTLMNAHPGD
SCHEMBL31301869 0.75 KMT2A (0.36) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL7902718 0.75 CNR2 (0.40) KMT2APOLB
SCHEMBL27425115 0.74 LMNA (0.41) CYP4F2CYP4A11MAPTLMNAALDH1A1
SCHEMBL15423734 0.74 ITGA4 (0.58) ITGA4ITGB7MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729810-B2 Methods, systems, and compositions for promoting bone growth CAYMAN CHEMICAL COMPANY, INC (US) 2020-08-04 US disclosed
EP-3235817-B1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2018-12-12 EP disclosed
EP-3235817-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS Cayman Chemical Company, Incorporated (US) 2017-10-25 EP 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
EP-2989098-B1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2017-05-10 EP 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

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

For each of this compound's patents that has machine-readable text (2 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-20160031811-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 ITGA4 128/4885ITGB7 918/4885CYP4F2 508/4885
US-20160060216-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 ITGA4 114/4885ITGB7 929/4885CYP4F2 581/4885

“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.