SCHEMBL40196

SCHEMBL40196

O=C(Cl)c1cccc(CBr)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
FOLH1 Q04609 1/20 0.44
MEP1B Q16820 4/20 0.41
MEP1A Q16819 2/20 0.41
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
TRPA1 O75762 1/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39

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
SCHEMBL27447668 0.85 CYP4F2 (0.44) ALDH1A1TSHRFOLH1MEP1BMEP1A
SCHEMBL2062793 0.83 CES2 (0.48) ALDH1A1TSHRCES2CES1FOLH1
SCHEMBL4950108 0.83 ALDH1A1 (0.48) ALDH1A1TSHRFOLH1PTPN1LOXL2
SCHEMBL29572523 0.83 ATM (0.52) ALDH1A1TSHRCES2CES1FOLH1
SCHEMBL185962 0.83 ATM (0.52) ALDH1A1TSHRCES2CES1FOLH1
SCHEMBL39676 0.82 TSHR (0.47) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL16240333 0.82 PRSS1 (0.55) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL40393 0.82 FOLH1 (0.66) CES2CES1FOLH1MEP1BMEP1A
SCHEMBL29472003 0.82 TSHR (0.47) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL29964040 0.82 FOLH1 (0.66) CES2CES1FOLH1MEP1BMEP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP disclosed
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 WO disclosed
CN-106132939-B Process for producing tetrazolinone compound 住友化学株式会社 2018-11-13 CN disclosed
CN-108409678-A The manufacturing method of Terazololine-one compound 住友化学株式会社 2018-08-17 CN disclosed
CN-105518014-B C-aryl glucoside derivative, preparation method and application thereof in medicine 上海研健新药研发有限公司 2018-03-23 CN disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
CN-107311992-A C aryl glucosides derivative, its preparation method and its in application pharmaceutically 上海研健新药研发有限公司 2017-11-03 CN disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
EP-2590510-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-28 EP disclosed
US-5234918-A For cardiovascular, respiratory, carcinogenic and inflammatory disorders AMERICAN CYANAMID COMPANY (US) 1993-08-10 US disclosed
US-5231182-A Platelet activating factor inhibitor AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5225425-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5215975-A Certain hydroxy-phosphinyl-oxy-phenyl methyl-thiazolium hydroxide inner salts as PAF antagonists AMERICAN CYANAMID COMPANY (US) 1993-06-01 US disclosed
US-5128351-A BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
US-5077409-A Reducing hydroxy bis-aryl amide, acylating, hydrolyzing, sulfonating, halogenating, alkylating with nitrogen heterocycle AMERICAN CYANAMID COMPANY (US) 1991-12-31 US disclosed
EP-0458037-A1 Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1991-11-27 EP disclosed
EP-0336142-A2 Novel antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1989-10-11 EP disclosed
US-4066435-A BENZYL TRIALKYL PHOSPHONIUM HALIDE MONSANTO COMPANY (US) 1978-01-03 US disclosed
US-4053501-A PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1977-10-11 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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 ALDH1A1 2892/4885TSHR 3105/4885CES2 879/4885
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND KNTC1, MED1, LEF1 ALDH1A1 1404/4885TSHR 4826/4885CES2 4819/4885

“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.