SCHEMBL1401049

SCHEMBL1401049

CCOC(=O)CC[C@H](C=C[C@@H](O)Cc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.46
CTSS P25774 2/20 0.46
TSHR P16473 2/20 0.39
PTPRB P23467 1/20 0.39
ACE P12821 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KCNQ4 P56696 2/20 0.37
KCNQ5 Q9NR82 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
ITGB3 P05106 1/20 0.36

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
SCHEMBL1401046 1.00 CTSK (0.46) CTSKCTSSTSHRPTPRBACE
SCHEMBL11929410 0.86 CTSK (0.51) CTSKCTSS
SCHEMBL1401076 0.86 CTSK (0.41) CTSKCTSSTSHRPTPRBKCNQ4
SCHEMBL1401074 0.86 CTSK (0.41) CTSKCTSSTSHRPTPRBKCNQ4
SCHEMBL16493531 0.85 CTSK (0.43) CTSKTSHRACECYP1A2CYP2C9
SCHEMBL4911646 0.85 CTSK (0.43) CTSKTSHRACECYP1A2CYP2C9
SCHEMBL4911639 0.85 CTSK (0.43) CTSKTSHRACECYP1A2CYP2C9
SCHEMBL10266633 0.84 CTSK (0.45) CTSKCTSSTSHRACEMEN1
SCHEMBL7439853 0.83 KLK5 (0.48) CTSKCTSSTSHRPTPRB
SCHEMBL8892623 0.83 KLK5 (0.48) CTSKCTSSTSHRPTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202773-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-8207223-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
EP-1417975-B1 REMEDIES FOR DISEASES WITH BONE MASS LOSS HAVING EP4 AGONIST AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-03-02 EP disclosed
EP-2255829-A2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as active ingredient Ono Pharmaceutical Co., Ltd. (JP) 2010-12-01 EP disclosed
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US disclosed
US-7608637-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed
US-20050020686-A1 Remedies for diseases with bone mass loss having ep4 agonist as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-01-27 US disclosed
EP-1417975-A1 REMEDIES FOR DISEASES WITH BONE MASS LOSS HAVING EP sb 4 /sb AGONIST AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-05-12 EP 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 (3 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-20120202773-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 CTSK 1625/4885CTSS 1758/4885TSHR 2597/4885
US-20050020686-A1 Remedies for diseases with bone mass loss having ep4 agonist as the active ingredient PTGER4, PTGER1, PTGER3 CTSK 2011/4885CTSS 1918/4885TSHR 2732/4885
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 CTSK 1625/4885CTSS 1758/4885TSHR 2597/4885

“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.