SCHEMBL2985001

SCHEMBL2985001

Cc1ccc(C(=O)c2ccn(Cc3ccc(CO[C@H](C)C(=O)O)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ TBXAS1 P24557 2/20 0.39
▸ CYP19A1 P11511 4/20 0.38
▸ HSP90AB1 P08238 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 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
SCHEMBL2969153 0.89 AKR1B1 (0.39) AKR1B1CYP19A1TP53PPARGPPARA
SCHEMBL13994578 0.84 TBXAS1 (0.36) SRD5A2AKR1B1TBXAS1NPC1RAB9A
SCHEMBL13994484 0.84 TBXAS1 (0.36) SRD5A2AKR1B1TBXAS1NPC1RAB9A
SCHEMBL2982129 0.84 SRD5A2 (0.35) SRD5A2AKR1B1TBXAS1CYP19A1LMNA
SCHEMBL2982133 0.84 SRD5A2 (0.35) SRD5A2AKR1B1TBXAS1CYP19A1LMNA
SCHEMBL13042076 0.82 PPARG (0.42) AKR1B1CYP19A1NPC1RAB9APPARG
SCHEMBL2981014 0.78 ALDH1A1 (0.44) SRD5A2AKR1B1CYP19A1ALDH1A1LMNA
SCHEMBL13994485 0.77 PPARG (0.43) AKR1B1HDAC3HDAC1HDAC2HDAC8
SCHEMBL13994512 0.75 ALDH1A1 (0.40) SRD5A2TBXAS1ALDH1A1NPC1RAB9A
SCHEMBL2983654 0.75 TP53 (0.64) ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 — — 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 (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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 SRD5A2 110/4885AKR1B1 22/4885TBXAS1 1197/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 SRD5A2 133/4885AKR1B1 30/4885TBXAS1 1295/4885

“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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