SCHEMBL3157724

SCHEMBL3157724

COc1ccc(C(=O)c2cccs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
TSHR P16473 1/20 0.69
L3MBTL1 Q9Y468 3/20 0.62
HPGDS O60760 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 2/20 0.61
PKM P14618 1/20 0.61
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 4/20 0.56
CYP2C9 P11712 2/20 0.56
LMNA P02545 1/20 0.56
KDM4E B2RXH2 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL17208812 0.91 HPGDS (0.66) HPGDNPC1RAB9ATSHRL3MBTL1
SCHEMBL6793430 0.85 HPGDS (0.83) HPGDNPC1RAB9ATSHRL3MBTL1
SCHEMBL8540384 0.82 L3MBTL1 (0.57) HPGDNPC1RAB9AL3MBTL1MAPT
SCHEMBL23041066 0.82 NPC1 (0.65) HPGDNPC1RAB9ATSHRHPGDS
SCHEMBL12039117 0.81 HPGDS (0.61) HPGDNPC1RAB9ATSHRL3MBTL1
SCHEMBL15227842 0.81 L3MBTL1 (0.68) HPGDNPC1RAB9AL3MBTL1MAPT
SCHEMBL15988676 0.81 MAPT (0.78) HPGDNPC1RAB9ATSHRL3MBTL1
SCHEMBL2760408 0.80 HPGDS (0.69) HPGDNPC1RAB9ATSHRHPGDS
SCHEMBL11306574 0.80 HPGDS (0.69) HPGDNPC1RAB9ATSHRHPGDS
SCHEMBL11449717 0.80 HPGD (0.69) HPGDNPC1RAB9ATSHRL3MBTL1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
EP-1423387-B1 PHOTOCHROMIC BIS-NAPHTHOPYRAN COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INT (FR) 2010-03-17 EP disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
US-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
US-6939007-B2 Photochromic bis-naphthopyran compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2005-09-06 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 US disclosed
EP-1438309-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2004-07-21 EP disclosed
US-6747145-B2 COUPLING A PROPARGYL ALCOHOL WITH A NAPHTHOL IN THE PRESENCE OF A CATALYTIC AMOUNT OF AN ACID, A SOLVENT AND 3 ANGSTROM MOLECULAR SIEVE TO GENERATE NAPHTHOPYRAN COMPOUND JOHNSON & JOHNSON VISION CARE, INC. 2004-06-08 US disclosed
US-4685783-A Polychromic tetracyclo-spiro-adamatylidene derivatives, and polychromic lens incorporating said compounds THE PLESSEY COMPANY P.L.C. (GB) 1987-08-11 US disclosed
EP-0140540-A2 Photochromic compounds and their uses in photoreactive lenses THE PLESSEY COMPANY plc (GB) 1985-05-08 EP disclosed
EP-0007678-B1 OXIME ETHERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ACF CHEMIEFARMA NV (NL) 1983-03-30 EP disclosed
US-4352804-A ANTIULCER AGENTS, GASTROINTESTINAL DISORDERS ACF CHEMIEFARMA NV (NL) 1982-10-05 US disclosed
EP-0046446-A1 Polyazaheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1982-02-24 EP disclosed
US-4297359-A ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS ACF CHEMIEFARMA NV (NL) 1981-10-27 US disclosed
US-4235896-A Benzyl-phenoxy acid esters and hyperlipaemia compositions containing the same ORCHIMED S.A. (CH) 1980-11-25 US disclosed
EP-0007678-A1 Oxime ethers, their preparation and pharmaceutical compositions containing them ACF CHEMIEFARMA NV (NL) 1980-02-06 EP disclosed
EP-0007679-A1 Oxime ethers, processes for their manufacture and pharmaceutical compositions thereof ACF CHEMIEFARMA NV (NL) 1980-02-06 EP disclosed
US-4179515-A HYPOLIPEMIC, HYPOCHOLESTEROLEMIC, CHOLAGOGIC ORCHIMED S. A. (CH) 1979-12-18 US 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-20080176912-A1 GPR40 AGONISTS GPR119, GPR65, GPR55 HPGD 1362/4885NPC1 182/4885RAB9A 2714/4885
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 HPGD 1363/4885NPC1 4468/4885RAB9A 1527/4885

“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.