SCHEMBL221733

SCHEMBL221733

FC(F)(F)c1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KIF11 P52732 6/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
MGLL Q99685 1/20 0.34
HTR2C P28335 2/20 0.32
AHR P35869 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
METAP2 P50579 1/20 0.31
PTPN5 P54829 1/20 0.31

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
SCHEMBL905508 0.84 KIF11 (0.36) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL60519 0.75 ALDH1A1 (0.36) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL192055 0.73 ALDH1A1 (0.35) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL272417 0.73 KIF11 (0.43) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL972400 0.73 CYP2A6 (0.32)
SCHEMBL192799 0.73 ALDH1A1 (0.35) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL596857 0.73 ACHE (0.32)
SCHEMBL6223209 0.73 KIF11 (0.38) ALDH1A1TSHRKIF11
SCHEMBL21268187 0.73 KIF11 (0.43) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL15353345 0.73 NOTUM (0.30)

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 987 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
CN-115737651-A Triazine derivatives as interferon-gamma inhibitors 格林威治大学 2023-03-07 CN claimed
CN-115385957-A Linear terphenyl aryl phosphine ligand and transition metal complex thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-113105486-A Borate compound and pharmaceutically acceptable salt thereof, and preparation method and application thereof 南京师范大学 2021-07-13 CN claimed
EP-3172264-B1 NOVEL POLYMERS CONTAINING GRAFTED BIS(SULFONYL)IMIDE SODIUM OR LITHIUM SALTS TO THE METHODS FOR THE PRODUCTION THEREOF, AND TO THE USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2021-06-16 EP claimed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 US claimed
US-10576086-B2 Triazine derivatives as interferon-gamma inhibitors UNIVERSITY OF GREENWICH (GB) 2020-03-03 US claimed
US-20180169105-A1 TRIAZINE DERIVATIVES AS INTERFERON-GAMMA INHIBITORS UNIVERSITY OF GREENWICH (GB) 2018-06-21 US claimed
EP-3307273-A1 TRIAZINE DERIVATIVES AS INTERFERON-GAMMA INHIBITORS University of Greenwich (GB) 2018-04-18 EP claimed
WO-1999033828-A1 BENZO[C]QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1999-07-08 WO claimed
EP-0926148-A1 Benzo (C)quinolizine derivatives, their preparation and use as 5-alphareductases inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1999-06-30 EP claimed
WO-1999021563-A1 PREVENTION OF PRECIPITATED ACUTE URINARY RETENTION MERCK & CO., INC. (US) 1999-05-06 WO claimed
EP-0880520-A1 BENZO [C]QUINOLIZINE DERIVATIVES, THEIR PREPARATION AND USE AS 5-ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1998-12-02 EP claimed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US claimed
WO-1997029107-A1 BENZO[C]QUINOLIZINE DERIVATIVES, THEIR PREPARATION AND USE AS 5α-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1997-08-14 WO claimed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP claimed
US-4968341-A PRE-AND POSTEMERGENCE HERBICIDES KUMIAI CHEMICAL INDUSTRY CO. (JP) 1990-11-06 US claimed
EP-0183174-B1 SUBSTITUTED PHENOXY UREA, PROCESSES FOR ITS PREPARATION AND HERBICIDE CONTAINING IT AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-10-26 EP claimed
EP-0183174-A2 Substituted phenoxy urea, processes for its preparation and herbicide containing it as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1986-06-04 EP 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 (4 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-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 ALDH1A1 3079/4885TSHR 3625/4885KIF11 3219/4885
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT ALDH1A1 1943/4885TSHR 3541/4885KIF11 4561/4885
US-10576086-B2 Triazine derivatives as interferon-gamma inhibitors IFNG, IFNAR1, IRF3 ALDH1A1 1809/4885TSHR 498/4885KIF11 4087/4885
US-20180169105-A1 TRIAZINE DERIVATIVES AS INTERFERON-GAMMA INHIBITORS IFNG, IFNAR1, IRF3 ALDH1A1 1809/4885TSHR 498/4885KIF11 4087/4885

“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.