SCHEMBL5563665

SCHEMBL5563665

O=CCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRZ1 P23471 4/20 0.62
▸ PTPN1 P18031 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ KIF11 P52732 1/20 0.39
▸ ALKBH5 Q6P6C2 1/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ KCNK2 O95069 1/20 0.34
▸ KCNK10 P57789 1/20 0.34

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
SCHEMBL9108521 0.83 PTPRZ1 (0.57) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL95318 0.78 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL7053864 0.78 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL6001747 0.78 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL18998006 0.78 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL5537670 0.77 PTPRZ1 (0.59) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL1295715 0.77 FFAR4 (0.42) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL3306295 0.77 PTPRZ1 (0.70) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL696549 0.75 PTPRZ1 (0.57) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL712441 0.74 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166937-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF Celgene Corporation (US) 2017-05-17 — — EP disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 — — EP disclosed
WO-2016007848-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION (US) 2016-01-14 — — WO disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 — — WO disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 — — US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 — — US disclosed
EP-1758880-A1 HYDROXAMATES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-07 — — EP disclosed
WO-2005121119-A1 HYDROXAMATES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 — — WO 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 (1 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 PTPRZ1 3977/4885PTPN1 4513/4885ALDH1A1 1965/4885

“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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