SCHEMBL6768173

SCHEMBL6768173

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
NAAA Q02083 1/20 0.35
FAAH O00519 1/20 0.34
PPARA Q07869 2/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
IDH1 O75874 6/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
DPP4 P27487 2/20 0.33
IL6ST P40189 1/20 0.32

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
SCHEMBL6774487 1.00 CSNK2B (0.36) CSNK2BCSNK2A1NAAAFAAHPPARA
SCHEMBL6772877 0.87 NAAA (0.38) CSNK2BCSNK2A1NAAAFAAHPPARA
SCHEMBL6772387 0.73 HSD17B2 (0.42) CSNK2BCSNK2A1NAAAFAAHPPARA
SCHEMBL6768409 0.73 HSD17B2 (0.42) CSNK2BCSNK2A1NAAAFAAHPPARA
SCHEMBL14548187 0.72 FAAH (0.45) CSNK2BCSNK2A1NAAAFAAHPPARA
SCHEMBL2501454 0.71 NAAA (0.48) NAAAFAAHPPARAIDH1IL6ST
SCHEMBL46356 0.71 NAAA (0.48) NAAAFAAHPPARAIDH1IL6ST
SCHEMBL2501460 0.71 NAAA (0.48) NAAAFAAHPPARAIDH1IL6ST
SCHEMBL7306476 0.71 NAAA (0.47) NAAAFAAHPPARAIDH1IL6ST
SCHEMBL23886772 0.71 DPP4 (0.46) NAAAFAAHIDH1DPP4IL6ST

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 CSNK2B 826/4885CSNK2A1 1097/4885NAAA 1977/4885

“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.