SCHEMBL3175654

SCHEMBL3175654

COc1ccc(O)c(C(=O)S)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
HPGD P15428 5/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 3/20 0.55
CYP3A4 P08684 2/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
HSD17B10 Q99714 3/20 0.54
TP53 P04637 2/20 0.54
ALOX12 P18054 2/20 0.54
ALOX15 P16050 3/20 0.53
CYP1A2 P05177 2/20 0.53
PGR P06401 2/20 0.53
SLC6A2 P23975 2/20 0.53
CYP2C19 P33261 2/20 0.53

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
SCHEMBL10372127 0.85 NPC1 (0.72) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL28093168 0.84 RAB9A (0.71) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL312754 0.82 ALDH1A1 (0.72) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL29445806 0.82 ALDH1A1 (0.72) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL6856233 0.82 NPC1 (0.58) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL128781 0.82 CA1 (0.61) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL29431885 0.82 CA1 (0.61) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL6575927 0.81 MAPT (0.66) NPC1RAB9AHPGDALDH1A1MEN1
SCHEMBL551750 0.81 NPC1 (0.56) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL865333 0.81 SMN1; SMN2 (0.59) NPC1RAB9AHPGDALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4539412-A ANTITUMOR AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 1985-09-03 US claimed
US-7671195-B2 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2010-03-02 US disclosed
EP-1996568-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS AstraZeneca UK Limited (GB) 2008-12-03 EP disclosed
US-7314930-B2 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2008-01-01 US disclosed
WO-2007102352-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2007-09-13 WO disclosed
US-20070203336-A1 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2007-08-30 US disclosed
US-20060173178-A1 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-08-03 US disclosed
US-7045621-B1 Process for producing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-05-16 US disclosed
EP-1201663-A1 PROCESS FOR PRODUCING DIBENZOTHIAZEPINE DERIVATIVES Ube Industries, Ltd. (JP) 2002-05-02 EP disclosed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed
US-4539412-A ANTITUMOR AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 1985-09-03 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-20060173178-A1 Process for preparing dibenzothiazepine derivatives TPMT, BBOX1, NISCH NPC1 2677/4885RAB9A 3597/4885HPGD 78/4885
US-20070203336-A1 Process for preparing dibenzothiazepine compounds TST, ADH1C, ADH5 NPC1 4278/4885RAB9A 4497/4885HPGD 510/4885

“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.