SCHEMBL9526409

SCHEMBL9526409

O=C(CBr)c1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.50
GSK3B P49841 2/20 0.42
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 2/20 0.41
FEN1 P39748 1/20 0.41
PTGS2 P35354 1/20 0.41
RORC P51449 9/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
PPARG P37231 1/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL29932768 1.00 TYK2 (0.50) TYK2GSK3BPTPN1ALDH1A1FEN1
SCHEMBL5358162 0.88 PTPN1 (0.48) TYK2GSK3BPTPN1
SCHEMBL15462868 0.83 TYK2 (0.50) TYK2ALDH1A1FEN1PTGS2RORC
SCHEMBL169401 0.82 FEN1 (0.57) TYK2GSK3BPTPN1ALDH1A1FEN1
SCHEMBL2096065 0.81 CES2 (0.44) GSK3BPTPN1ALDH1A1PTGS2RORC
SCHEMBL23364838 0.80 GSK3B (0.42) TYK2GSK3BPTPN1ALDH1A1RORC
SCHEMBL29932825 0.80 GSK3B (0.42) TYK2GSK3BPTPN1ALDH1A1RORC
SCHEMBL18713609 0.79 TYK2 (0.55) TYK2ALDH1A1PTGS2RORCITGB1
SCHEMBL784920 0.79 TYK2 (0.55) TYK2ALDH1A1PTGS2RORCCYP3A4
SCHEMBL4536908 0.79 ALDH1A1 (0.63) TYK2ALDH1A1PTGS2RORCITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142092-A Chemical intermediate for making fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US claimed
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP claimed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP claimed
US-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION 2024-01-04 US disclosed
EP-4058439-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY Genzyme Corporation (US) 2022-09-21 EP disclosed
CN-115003659-A 5-membered heteroaryl amino sulfonamides for the treatment of conditions mediated by a deficiency in CFTR activity 健赞公司 2022-09-02 CN disclosed
WO-2021097057-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 WO disclosed
EP-3242878-B1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD (IN) 2020-10-14 EP disclosed
EP-3242878-B1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD (IN) 2020-10-14 EP disclosed
US-10435402-B2 Bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2019-10-08 US disclosed
US-20170362225-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2017-12-21 US disclosed
US-20170362225-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2017-12-21 US disclosed
US-20170362225-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2017-12-21 US disclosed
EP-3242878-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF Advinus Therapeutics Limited (IN) 2017-11-15 EP disclosed
WO-2016110821-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2016-07-14 WO disclosed
WO-2016110821-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2016-07-14 WO disclosed
EP-0365913-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1993-11-18 EP disclosed
US-5142092-A Chemical intermediate for making fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP disclosed
US-5104879-A ANTIMYCOTICALLY ACTIVE SUBSTITUTED 2-AMINOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 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 (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-20170362225-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF RORC, RORA, RORB TYK2 1282/4885GSK3B 94/4885PTPN1 872/4885
US-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY CFTR, PKD2, PKD1 TYK2 4120/4885GSK3B 4020/4885PTPN1 3082/4885
US-10435402-B2 Bicyclic compounds, compositions and medicinal applications thereof RORA, RORB, RORC TYK2 2106/4885GSK3B 114/4885PTPN1 1660/4885

“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.