SCHEMBL10204879

SCHEMBL10204879

COc1cc(C)cc(CSC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.42
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18896261 0.87 ALDH1A1 (0.52) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL20385883 0.80 NPC1 (0.42) TSHRALDH1A1NPC1LMNARAB9A
SCHEMBL1145143 0.80 NPC1 (0.46) TSHRMAPK1HTTATMHSD17B10
SCHEMBL14793387 0.78 CYP19A1 (0.46) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL13369436 0.78 PTGS2 (0.49) TACR1NOS2ALDH1A1ACHECYP1A1
SCHEMBL14793355 0.77 NOS3 (0.39) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL10175240 0.77 TACR1 (0.45) TACR1TSHRMAPK1ALDH1A1ACHE
SCHEMBL18458781 0.75 TP53 (0.45) TSHRMAPK1NPC1LMNARAB9A
SCHEMBL12338023 0.75 TACR1 (0.44) TACR1TSHRALDH1A1ACHECYP1A1
SCHEMBL3933079 0.75 TACR1 (0.44) TACR1TSHRMAPK1TDP1ALDH1A1

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-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-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
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-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-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-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

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-20120202773-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 TACR1 2101/4885NOS3 771/4885NOS1 763/4885
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 TACR1 2101/4885NOS3 771/4885NOS1 763/4885

“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.

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