SCHEMBL6778047

SCHEMBL6778047

Clc1ccc(Sc2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.48
PDE7A Q13946 2/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL588852 0.80 FBP1 (0.54) FBP1PDE7AL3MBTL1KMT2AALDH1A1
SCHEMBL9085431 0.79 FBP1 (0.48) FBP1PDE7ARAB9ANPC1KMT2A
SCHEMBL6772507 0.79 FBP1 (0.48) FBP1PDE7ARAB9ANPC1KMT2A
SCHEMBL2785817 0.79 FBP1 (0.48) FBP1PDE7ARAB9ANPC1L3MBTL1
SCHEMBL2787500 0.79 NR1H2 (0.52) FBP1PDE7ARAB9ANPC1L3MBTL1
SCHEMBL9724099 0.79 PDE7A (0.44) FBP1PDE7ARAB9ANPC1L3MBTL1
SCHEMBL2786171 0.79 FBP1 (0.43) FBP1PDE7ARAB9ANPC1KMT2A
SCHEMBL9724157 0.79 PDE7A (0.48) FBP1PDE7ARAB9ANPC1L3MBTL1
Hydrogen Sulfide SCHEMBL2786811 0.78 FBP1 (0.52) FBP1PDE7AL3MBTL1KMT2AALDH1A1
SCHEMBL2432241 0.77 FBP1 (0.68) FBP1PDE7ARAB9ANPC1L3MBTL1

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 6 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
US-5158971-A Antiallergens, antiinflammatory agents LILLY INDUSTRIES LIMITED (GB) 1992-10-27 US disclosed
EP-0459748-A2 Thien-2-yl methylurea derivatives as leukotriene inhibitors LILLY INDUSTRIES LIMITED (GB) 1991-12-04 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 (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 FBP1 1745/4885PDE7A 1149/4885RAB9A 2910/4885

“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.