SCHEMBL2982666

SCHEMBL2982666

C=CCn1ccc(C(=O)c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.42
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ ANXA2 P07355 2/20 0.39
▸ S100A10 P60903 2/20 0.39
▸ HIF1A Q16665 6/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NR4A1 P22736 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ EPHX2 P34913 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
SCHEMBL2978805 0.82 ALDH1A1 (0.42) SRD5A2ALDH1A1LMNA
SCHEMBL2717446 0.78 SRD5A2 (0.41) SRD5A2CES2CES1ANXA2S100A10
SCHEMBL2969264 0.78 THRB (0.48) ALDH1A1LMNA
SCHEMBL28040263 0.74 SMN1; SMN2 (0.48) ALDH1A1
SCHEMBL2718721 0.73 LDHA (0.44) SRD5A2CES2CES1ANXA2S100A10
SCHEMBL2720653 0.70 SRD5A2 (0.41) SRD5A2CES2CES1ANXA2S100A10
SCHEMBL24335762 0.70 LTA4H (0.40) HIF1AALDH1A1LMNA
SCHEMBL13205914 0.69 HDAC1 (0.41) SRD5A2TGM2
SCHEMBL26134135 0.69 TEAD1 (0.49) —
SCHEMBL648641 0.67 SRD5A2 (0.83) SRD5A2CES2CES1PTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 110/4885CES2 473/4885CES1 28/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 SRD5A2 133/4885CES2 428/4885CES1 23/4885

“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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