SCHEMBL1198865

SCHEMBL1198865

O=C(CBr)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.48
▸ PTPN1 P18031 3/20 0.46
▸ KAT6A Q92794 2/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ P2RX7 Q99572 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CTNNB1 P35222 3/20 0.42
▸ WNT3A P56704 3/20 0.42
▸ HDAC8 Q9BY41 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL14797106 0.84 GSK3B (0.44) CTSSPTPN1KAT6AGSK3BLMNA
SCHEMBL168979 0.84 CTNNB1 (0.57) PTPN1GSK3BLMNAGAACTNNB1
SCHEMBL30013031 0.84 CTNNB1 (0.57) PTPN1GSK3BLMNAGAACTNNB1
SCHEMBL4868895 0.83 CTSS (0.48) CTSSKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL4873112 0.83 CTSS (0.55) CTSSKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL5358010 0.83 PTPN1 (0.46) CTSSPTPN1GSK3BLMNAGAA
SCHEMBL9526234 0.81 CTSS (0.49) CTSSPTPN1GSK3BP2RX7
SCHEMBL28188796 0.80 KAT6A (0.51) CTSSKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL5358162 0.78 PTPN1 (0.48) CTSSPTPN1GSK3BLMNAGAA
SCHEMBL9560994 0.78 KAT6A (0.50) CTSSKAT6ATAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 — — US disclosed
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 — — EP disclosed
EP-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 — — EP disclosed
US-9073881-B2 Benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 — — US disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 — — EP disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 — — WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 — — US disclosed
US-8163921-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 — — US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — EP disclosed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 — — EP disclosed
US-20090274652-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 — — US disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 — — WO disclosed
WO-2009123316-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-08 — — WO disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 — — US disclosed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 — — EP disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 — — US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 — — US disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 — — 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 (5 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 CTSS 2361/4885PTPN1 674/4885KAT6A 1459/4885
US-20090274652-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CTSS 830/4885PTPN1 1786/4885KAT6A 3059/4885
US-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 CTSS 2009/4885PTPN1 991/4885KAT6A 2933/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CTSS 1641/4885PTPN1 946/4885KAT6A 3161/4885
US-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 CTSS 3441/4885PTPN1 3778/4885KAT6A 1128/4885

“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.

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