SCHEMBL6772387

SCHEMBL6772387

CN1C(=O)C[C@@H](c2ccccc2F)[C@H]1C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 8/20 0.42
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
NAAA Q02083 1/20 0.35
IDH1 O75874 7/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
FAAH O00519 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL6768409 1.00 HSD17B2 (0.42) HSD17B2CSNK2BCSNK2A1NAAAIDH1
SCHEMBL6771116 0.87 HSD17B2 (0.43) HSD17B2CSNK2BCSNK2A1NAAAIDH1
SCHEMBL15194999 0.79 CSNK2B (0.34) CSNK2BCSNK2A1NAAAIDH1FAAH
SCHEMBL12152024 0.79 CSNK2B (0.34) CSNK2BCSNK2A1NAAAIDH1FAAH
SCHEMBL6774487 0.73 CSNK2B (0.36) CSNK2BCSNK2A1NAAAIDH1FAAH
SCHEMBL6768173 0.73 CSNK2B (0.36) CSNK2BCSNK2A1NAAAIDH1FAAH
SCHEMBL14548187 0.72 FAAH (0.45) CSNK2BCSNK2A1NAAAIDH1FAAH
SCHEMBL2501454 0.71 NAAA (0.48) NAAAIDH1FAAHPPARA
SCHEMBL46356 0.71 NAAA (0.48) NAAAIDH1FAAHPPARA
SCHEMBL2501460 0.71 NAAA (0.48) NAAAIDH1FAAHPPARA

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-6784167-B2 TREATING OSTEOPOROSIS, OSTEOPENIA, OVARIAN CANCER, BREAST CANCER, ENDOMETRIAL CANCER, ENDOMETRIOSIS, PROSTATE CANCER, ACNE, ANDROGEN-DEPENDENT HAIR LOSS, NON-INSULIN-DEPENDENT DIABETES MELLITUS, OR HYPERCHOLESTEROLEMIA. BAYER PHARMACEUTICALS CORPORATION 2004-08-31 US disclosed
EP-1326829-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS Bayer Pharmaceuticals Corporation (US) 2003-07-16 EP disclosed
US-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors BAYER PHARMACEUTICALS CORPORATION 2003-05-08 US disclosed
WO-2002026706-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2002-04-04 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-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors HSD3B1, HSD3B2, HSD17B1 HSD17B2 4/4885CSNK2B 826/4885CSNK2A1 1097/4885

“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.