SCHEMBL4097012

SCHEMBL4097012

O=C(O)/C=C1/CCCc2sccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
TBXAS1 P24557 2/20 0.43
USP2 O75604 1/20 0.42
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
RXRA P19793 5/20 0.35
NR1I2 O75469 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4097016 1.00 CYP19A1 (0.43) CYP19A1TBXAS1USP2MAPTMEN1
SCHEMBL6991846 0.77 CYP19A1 (0.40) CYP19A1TBXAS1USP2MAPTMAPK1
SCHEMBL6991841 0.77 CYP19A1 (0.40) CYP19A1TBXAS1USP2MAPTMAPK1
SCHEMBL4103069 0.77 NPC1 (0.40) CYP19A1TBXAS1MEN1KMT2ANPC1
SCHEMBL4103067 0.77 NPC1 (0.40) CYP19A1TBXAS1MEN1KMT2ANPC1
SCHEMBL6997598 0.73 HTT (0.44) CYP19A1TBXAS1MAPTMEN1KMT2A
SCHEMBL6997601 0.73 HTT (0.44) CYP19A1TBXAS1MAPTMEN1KMT2A
Oxalic Acid SCHEMBL4105598 0.71 CYP19A1 (0.51) CYP19A1TBXAS1USP2MAPTMEN1
SCHEMBL8923628 0.70 RXRA (0.60) CYP19A1MAPTRXRANPC1RAB9A
SCHEMBL4115649 0.70 CYP19A1 (0.43) CYP19A1TBXAS1USP2NR1I2CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492563-B2 4,5,6,7-tetrahydrobenzo[B]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-23 US disclosed
US-20120238567-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-20 US disclosed
US-8227625-B2 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-24 US disclosed
US-20090221572-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-09-03 US disclosed
EP-1996573-A1 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
WO-2007098961-A1 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-07 WO disclosed
EP-1829869-A1 4,5,6,7-Tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
EP-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 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-20090221572-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS SIGMAR1, TMEM97, OPRM1 CYP19A1 1958/4885TBXAS1 1186/4885USP2 3896/4885
US-20120238567-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS SIGMAR1, TMEM97, OPRM1 CYP19A1 1958/4885TBXAS1 1186/4885USP2 3896/4885

“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.