SCHEMBL198253

SCHEMBL198253

CCCS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.61
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
POLB P06746 8/20 0.48
GRK2 P25098 4/20 0.48
SIGMAR1 Q99720 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CA2 P00918 1/20 0.46
HSD11B1 P28845 1/20 0.46
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL5104880 0.88 PLCG1 (0.57) PLCG1KMT2AMEN1THRBPOLB
SCHEMBL14543475 0.86 PLCG1 (0.55) PLCG1KMT2AMEN1THRBPOLB
SCHEMBL14379397 0.84 PLCG1 (0.59) PLCG1KMT2AMEN1THRBPOLB
SCHEMBL5375 0.84 PLCG1 (0.70) PLCG1KMT2AMEN1THRBPOLB
SCHEMBL92881 0.80 ALDH1A1 (0.72) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL19127744 0.80 PLCG1 (0.64) PLCG1KMT2AMEN1THRBPOLB
SCHEMBL1941301 0.79 PSIP1 (0.47) PLCG1KMT2AMEN1POLBCYP3A4
SCHEMBL1941565 0.79 GAA (0.56) PLCG1KMT2AMEN1THRBPOLB
SCHEMBL4246493 0.79 SIGMAR1 (0.61) PLCG1KMT2AMEN1THRBPOLB
SCHEMBL13586189 0.78 PLCG1 (0.61) PLCG1KMT2APOLBGRK2CYP3A4

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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081757-A1 PI3K-ALPHA INHIBITORS AND METHODS OF MAKING AND USING THE SAME RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-20230043009-A1 A METHOD FOR PREPARING ELECTRO-CONDUCTIVE SILICONE ELASTOMER ARTICLE ELKEM SILICONES SHANGHAI CO., LTD. (CN) 2023-02-09 US disclosed
EP-2342220-B1 METHODS AND SYSTEMS FOR PREDICTING MISFOLDED PROTEIN EPITOPES UNIV BRITISH COLUMBIA (CA) 2021-05-12 EP disclosed
WO-2021034368-A9 CONFORMABLE THIN FILM-BASED STRAIN SENSING WITH FLEXIBLE SUBSTRATE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-04-08 WO disclosed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 WO disclosed
US-9821337-B2 Integrated fluidjet system for stripping, prepping and coating a part VLN ADVANCED TECHNOLOGIES INC. (CA) 2017-11-21 US disclosed
US-20170271580-A1 SEMICONDUCTOR MEMORY DEVICES SAMSUNG ELECTRONICS CO., LTD (KR) 2017-09-21 US disclosed
EP-2803518-B1 Sealing member HENNIGES AUTOMOTIVE SEALING SYSTEMS NORTH AMERICA INC (US) 2017-08-23 EP disclosed
US-20170204185-A1 B7-H3 AND B7-H4, NOVEL IMMUNOREGULATORY MOLECULES MAYO FOUNDATION (US) 2017-07-20 US disclosed
EP-2557625-B1 PROCESS FOR PRODUCTION OF SEAL STRUCTURE FOR BIPOLAR BATTERY, PROCESS FOR PRODUCTION OF BIPOLAR BATTERY, SEAL STRUCTURE FOR BIPOLAR BATTERY, AND BIPOLAR BATTERY NISSAN MOTOR (JP) 2017-06-21 EP disclosed
US-7225630-B2 Refrigerating cycle apparatus, air conditioning apparatus, throttle device and flow controller MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2007-06-05 US disclosed
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP disclosed
US-20070082943-A1 Process for preparation of substantially pure glimepiride KADAM SURESH M 2007-04-12 US disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20070082943-A1 Process for preparation of substantially pure glimepiride DPP4, GCG, GLI2 PLCG1 4006/4885KMT2A 964/4885MEN1 3078/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 PLCG1 2999/4885KMT2A 1240/4885MEN1 786/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PLCG1 3146/4885KMT2A 1300/4885MEN1 1171/4885

“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.