SCHEMBL2969153

SCHEMBL2969153

Cc1ccc(C(=O)c2ccn(Cc3cccc(CO[C@H](C)C(=O)O)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.39
▸ CYP19A1 P11511 6/20 0.38
▸ PPARG P37231 6/20 0.37
▸ PPARA Q07869 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ TACR2 P21452 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 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
SCHEMBL13042076 0.91 PPARG (0.42) AKR1B1CYP19A1PPARGPPARACYP2C9
SCHEMBL2985001 0.89 SRD5A2 (0.40) AKR1B1CYP19A1PPARGPPARATP53
SCHEMBL13994485 0.84 PPARG (0.43) AKR1B1PPARGPPARATP53
SCHEMBL13042084 0.81 TP53 (0.40) PPARGPPARATP53CYP2C9EGFR
SCHEMBL2975766 0.77 TP53 (0.60) TP53CYP2C9MAPT
SCHEMBL2984500 0.77 PPARG (0.51) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2982129 0.77 SRD5A2 (0.35) AKR1B1CYP19A1PPARGPPARA
SCHEMBL13994578 0.77 TBXAS1 (0.36) AKR1B1PPARGPPARAMAPT
SCHEMBL2982133 0.77 SRD5A2 (0.35) AKR1B1CYP19A1PPARGPPARA
SCHEMBL13994484 0.77 TBXAS1 (0.36) AKR1B1PPARGPPARAMAPT

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 11 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
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 AKR1B1 22/4885CYP19A1 221/4885PPARG 430/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 AKR1B1 30/4885CYP19A1 246/4885PPARG 498/4885

“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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