SCHEMBL3587775

SCHEMBL3587775

CC(C)(C)c1cc(C(N)=S)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CES2 O00748 1/20 0.45
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
CTSL P07711 4/20 0.43
CTSB P07858 4/20 0.43
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ASH1L Q9NR48 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
MAPT P10636 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3590702 0.90 GABRA1 (0.48) GAAPTPN7DUSP3GABRA1GABRB2
SCHEMBL627496 0.90 GAA (0.56) GAACES2CTSLCTSBALDH1A1
SCHEMBL12128276 0.81 CTSL (0.47) GAACES2CTSLCTSBALDH1A1
SCHEMBL22861023 0.78 GABRB2 (0.52) GAACES2GABRA1GABRB2ALDH1A1
SCHEMBL1104677 0.78 GABRB2 (0.52) GAACES2GABRA1GABRB2ALDH1A1
SCHEMBL12128243 0.78 GAA (0.46) GAACES2CTSLCTSBALDH1A1
SCHEMBL16952205 0.78 CES2 (0.50) GAACES2PTPN7DUSP3GABRA1
SCHEMBL3589490 0.78 EPHX2 (0.42) GAAPTPN7DUSP3GABRA1GABRB2
SCHEMBL11298235 0.77 GAA (0.53) GAACES2CTSLCTSBALDH1A1
SCHEMBL1198001 0.77 NOTUM (0.53) GAACES2CTSLCTSBALDH1A1

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 1 patent. 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

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 GAA 4433/4885CES2 3076/4885PTPN7 300/4885

“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.