SCHEMBL192055

SCHEMBL192055

FC(F)(F)c1c[c]c(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 6/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
MGLL Q99685 1/20 0.33
GSK3B P49841 2/20 0.32
PTPN1 P18031 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
BACE1 P56817 1/20 0.31
METAP2 P50579 1/20 0.31
PTPN5 P54829 1/20 0.30

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
SCHEMBL15063618 0.83 KIF11 (0.48) KIF11BACE1
SCHEMBL192592 0.82
SCHEMBL15049717 0.79
SCHEMBL6225432 0.76 TSHR (0.39) ALDH1A1TSHRKIF11
SCHEMBL221733 0.73 ALDH1A1 (0.36) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL60519 0.73 ALDH1A1 (0.36) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL1066148 0.73 KIF11 (0.37) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL458703 0.72 MAOB (0.45) TSHRKIF11
SCHEMBL192799 0.71 ALDH1A1 (0.35) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL21268187 0.71 KIF11 (0.43) ALDH1A1TSHRKIF11CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US claimed
WO-2023230217-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 WO claimed
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO claimed
US-20200061029-A1 Glaucocalyxin A Derivative, Pharmaceutically Acceptable Salt Thereof, Or Pharmaceutical Composition Thereof And Uses Thereof In Preparation Of Drugs For Treating Psoriasis SUZHOU PHARMAVAN CO LTD (CN) 2020-02-27 US claimed
CN-106831609-B 6-sulfonate pyrimidine salicylic acid compound and preparation method and application thereof 华中师范大学 2020-02-21 CN claimed
US-9657013-B2 Inhibitors of hepatitis B virus covalently closed circular DNA formation and their method of use BARUCH S. BLUMBERG INSTITUTE (US) 2017-05-23 US claimed
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN claimed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US claimed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP claimed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
CN-1860114-A Benzoxazinone-derived sulfonamide compounds, process for their preparation and their use as pharmaceuticals ESTEVE LABOR DR (ES) 2006-11-08 CN claimed
CN-1826106-A Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2006-08-30 CN claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
CN-1225638-A Substituted triazoloazine sulfonamides BAYER AG (DE) 1999-08-11 CN claimed
EP-0915878-A2 SUBSTITUTED TRIAZOLOAZINE SULPHONAMIDES BAYER AG (DE) 1999-05-19 EP claimed
WO-1998003508-A2 SUBSTITUTED TRIAZOLOAZINE SULPHONAMIDES AND THEIR USE AS PLANT-TREATMENT AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-29 WO claimed

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-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 ALDH1A1 1597/4885TSHR 834/4885KIF11 3952/4885
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 ALDH1A1 3079/4885TSHR 3625/4885KIF11 3219/4885
US-20200061029-A1 Glaucocalyxin A Derivative, Pharmaceutically Acceptable Salt Thereof, Or Pharmaceutical Composition Thereof And Uses Thereof In Preparation Of Drugs For Treating Psoriasis GYPA, REN, PCSK7 ALDH1A1 4576/4885TSHR 4660/4885KIF11 2597/4885

“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.