Sugi Predict

Sugi Predict / Compounds / SCHEMBL3583240

SCHEMBL3583240

SCHEMBL3583240

CC(C)(C)c1cc(Br)cc(SC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ HPN P05981 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31
▸ KCNK2 O95069 1/20 0.30
▸ KCNK10 P57789 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
SCHEMBL1844877 0.81 KDM4E (0.32) KDM4EALDH1A1TDP1KCNK2KCNK10
SCHEMBL19274299 0.78 GABRA1 (0.34) POLBGABRA1GABRB2
SCHEMBL24270061 0.76 GABRA1 (0.33) POLBGABRA1GABRB2
SCHEMBL25326158 0.74 KDM4E (0.35) KDM4EALDH1A1TDP1KCNK2KCNK10
SCHEMBL846677 0.73 GABRA1 (0.46) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL190968 0.73 GABRA1 (0.52) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL24269682 0.73 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL19274300 0.73 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL19274548 0.73 AR (0.33) GABRA1GABRB2
SCHEMBL3589143 0.73 KIF11 (0.42) TRPV1EPHX2NR1H4LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 — — WO disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 — — 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 (2 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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 TRPV1 97/4885EPHX2 1760/4885NR1H4 152/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 TRPV1 118/4885EPHX2 1796/4885NR1H4 169/4885

“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.