SCHEMBL2890799

SCHEMBL2890799

CC(=O)Nc1ccc(Cl)c(C)c1Nc1ccccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 12/20 0.43
ESRRA P11474 1/20 0.42
PNLIP P16233 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RY14 Q15391 2/20 0.39
P2RY2 P41231 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL2888429 0.88 ESRRA (0.46) P2RY1ESRRAPNLIPTDP1CYP1A2
SCHEMBL12952688 0.82 P2RY1 (0.58) P2RY1TDP1P2RY14
SCHEMBL2884687 0.80 L3MBTL1 (0.44) ESRRAPNLIPTDP1CYP1A2CYP3A4
SCHEMBL2892865 0.78 ESRRA (0.46) ESRRACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2892667 0.75 GAA (0.47) ESRRAPNLIPTDP1NPSR1
SCHEMBL2890797 0.74 PNLIP (0.45) P2RY1PNLIPCYP1A2CYP3A4CYP2C9
SCHEMBL2884655 0.73 SLC6A2 (0.48) P2RY1P2RY14P2RY2CYP3A4
SCHEMBL2893274 0.72 PTGDR2 (0.47) ESRRAPNLIPTDP1
SCHEMBL2885405 0.71 L3MBTL1 (0.45) PNLIPTDP1ATMNPSR1
SCHEMBL16316797 0.71 L3MBTL1 (0.56) ESRRATDP1ATMNPSR1

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-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO 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 (1 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 P2RY1 4597/4885ESRRA 79/4885PNLIP 2520/4885

“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.