SCHEMBL6203312

SCHEMBL6203312

C=CC(CS(=O)(=O)c1ccccc1Br)OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.45
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KYNU Q16719 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34

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
SCHEMBL27933271 0.73 PLCG1 (0.51) PLCG1TSHRKMT2APOLBTDP1
SCHEMBL29483741 0.72 TSHR (0.49) TP53TSHRKMT2AMEN1POLB
SCHEMBL8463735 0.72 ALDH1A1 (0.64) TP53TSHRKMT2AMEN1TDP1
SCHEMBL14362156 0.70 TSHR (0.57) TP53TSHRKMT2AMEN1MAPT
SCHEMBL6203315 0.69 PLCG1 (0.44) PLCG1TSHRPOLBTDP1NPC1
SCHEMBL21647766 0.69 TSHR (0.45) TP53TSHRKMT2AMEN1TDP1
SCHEMBL28911450 0.68 PLCG1 (0.56) PLCG1KMT2AMEN1MAPTPOLB
SCHEMBL3791059 0.66 TSHR (0.57) TP53TSHRKMT2AMEN1MAPT
SCHEMBL28957581 0.66 ALDH1A1 (0.48) TP53TSHRKMT2AMEN1
SCHEMBL4250234 0.66 PLCG1 (1.00) PLCG1KMT2AMEN1MAPTPOLB

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
EP-1425279-A4 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES SEARLE LLC (US) 2005-10-26 EP disclosed
US-20050090543-A1 Method for the preparation of tetrahydrobenzothiepines PHARMACIA CORPORATION (US) 2005-04-28 US disclosed
US-6794544-B2 APICAL SODIUM CO- DEPENDENT BILE ACID TRANSPORTER (ASBT) INHIBITORS PHARMACIA CORPORATION 2004-09-21 US disclosed
EP-1425279-A2 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES G.D. Searle LLC (US) 2004-06-09 EP disclosed
US-20040082647-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE, LLC 2004-04-29 US disclosed
US-20030236406-A1 Method for the preparation of tetrahydrobenzothiepines BABIAK KEVIN A (US) 2003-12-25 US disclosed
WO-2003022804-A9 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES SEARLE LLC (US) 2003-12-18 WO disclosed
US-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines G.D. SEARLE, LLC (US) 2003-10-23 US disclosed
US-6586434-B2 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE, LLC 2003-07-01 US disclosed
WO-2003022804-A2 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES G.D. SEARLE LLC (US) 2003-03-20 WO disclosed
EP-1286984-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES Pharmacia Corporation (US) 2003-03-05 EP disclosed
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE LLC 2002-03-14 US disclosed
WO-2001068637-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES PHARMACIA CORPORATION (US) 2001-09-20 WO 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 (5 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-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines TPMT, MPST, SULT1A1 PLCG1 3870/4885NPSR1 3308/4885TP53 3864/4885
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 PLCG1 3678/4885NPSR1 3049/4885TP53 3509/4885
US-20050090543-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 PLCG1 3678/4885NPSR1 3049/4885TP53 3509/4885
US-20030236406-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 PLCG1 3672/4885NPSR1 3043/4885TP53 3497/4885
US-20040082647-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 PLCG1 3678/4885NPSR1 3049/4885TP53 3509/4885

“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.