SCHEMBL4640445

SCHEMBL4640445

O=C(O)c1cc(Br)cc2c1OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
AKR1C4 P17516 1/20 0.43
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL13315468 0.93 SMN1; SMN2 (0.58) SMN1; SMN2AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL4492453 0.86 AKR1C3 (0.43) SMN1; SMN2AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL31480938 0.86 AKR1C3 (0.43) SMN1; SMN2AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL19124972 0.80 KDM4E (0.53) SMN1; SMN2HSD17B10KDM4EMAPTMEN1
SCHEMBL3164382 0.79 AKR1C4 (0.43) SMN1; SMN2AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL13315475 0.79 KDM4E (0.43) SMN1; SMN2HSD17B10KDM4EMAPTLMNA
SCHEMBL13315481 0.79 PARP1 (0.46) SMN1; SMN2HSD17B10KDM4EMAPTHTT
SCHEMBL11267777 0.79 SMN1; SMN2 (0.41) SMN1; SMN2HSD17B10KDM4ELMNAHTT
SCHEMBL9053612 0.79 KDM4E (0.42) SMN1; SMN2HSD17B10KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL4164962 0.77 MAPT (0.42) SMN1; SMN2HSD17B10KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-10752604-B2 C-glucoside derivative containing fused phenyl ring or pharmaceutically acceptable salt thereof, process for preparing same, and pharmaceutical composition comprising same Je II Pharmaceutical Co., Ltd. (KR) 2020-08-25 US disclosed
US-10752604-B2 C-glucoside derivative containing fused phenyl ring or pharmaceutically acceptable salt thereof, process for preparing same, and pharmaceutical composition comprising same Je II Pharmaceutical Co., Ltd. (KR) 2020-08-25 US disclosed
EP-3404033-B1 C-GLUCOSIDE DERIVATIVE CONTAINING FUSED PHENYL RING OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME JEIL PHARMACEUTICAL CO LTD (KR) 2020-08-05 EP disclosed
EP-3404033-B1 C-GLUCOSIDE DERIVATIVE CONTAINING FUSED PHENYL RING OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME JEIL PHARMACEUTICAL CO LTD (KR) 2020-08-05 EP disclosed
US-20190002425-A1 C-Glucoside Derivative Containing Fused Phenyl Ring or Pharmaceutically Acceptable Salt Thereof, Process for Preparing Same, and Pharmaceutical Composition Comprising Same JE IL PHARMACEUTICAL CO., LTD. (KR) 2019-01-03 US disclosed
EP-3404033-A1 C-GLUCOSIDE DERIVATIVE CONTAINING FUSED PHENYL RING OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Jeil Pharmaceutical Co., Ltd. (KR) 2018-11-21 EP disclosed
WO-2017119700-A1 C-GLUCOSIDE DERIVATIVE CONTAINING FUSED PHENYL RING OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 제일약품주식회사 2017-07-13 WO disclosed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
CN-1040436-C Pharmaceuticals SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN 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 (3 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-20190002425-A1 C-Glucoside Derivative Containing Fused Phenyl Ring or Pharmaceutically Acceptable Salt Thereof, Process for Preparing Same, and Pharmaceutical Composition Comprising Same SLC5A2, SLC5A1, UGGT1 SMN1; SMN2 4298/4885AKR1C3 862/4885AKR1C2 516/4885
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 SMN1; SMN2 4132/4885AKR1C3 348/4885AKR1C2 610/4885
US-10752604-B2 C-glucoside derivative containing fused phenyl ring or pharmaceutically acceptable salt thereof, process for preparing same, and pharmaceutical composition comprising same SLC5A2, SLC5A1, UGGT1 SMN1; SMN2 4298/4885AKR1C3 862/4885AKR1C2 516/4885

“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.