SCHEMBL3175667

SCHEMBL3175667

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
HPGD P15428 6/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
HSD17B10 Q99714 3/20 0.51
TP53 P04637 2/20 0.51
ALOX12 P18054 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
GAA P10253 2/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
MCL1 Q07820 1/20 0.50
MAPK1 P28482 3/20 0.47

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
SCHEMBL10372128 0.84 NPC1 (0.63) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL628634 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL11201622 0.82 NPC1 (0.61) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL29431885 0.80 CA1 (0.61) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL6575931 0.80 MAPT (0.58) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL128781 0.80 CA1 (0.61) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL865333 0.78 SMN1; SMN2 (0.59) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL28093168 0.78 RAB9A (0.71) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL6715407 0.76 CA12 (0.60) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL6856233 0.76 NPC1 (0.58) ALDH1A1MEN1KMT2AHPGDRAB9A

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 ALDH1A1 552/4885MEN1 4480/4885KMT2A 3313/4885
US-20070203336-A1 Process for preparing dibenzothiazepine compounds TST, ADH1C, ADH5 ALDH1A1 432/4885MEN1 4595/4885KMT2A 2658/4885

“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.