SCHEMBL3368375

SCHEMBL3368375

Cc1ccc(SCc2cc(O)n3nc(Cc4ccccc4)nc3n2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.46
CXCR2 P25025 6/20 0.44
TP53 P04637 3/20 0.42
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
KLK7 P49862 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL3368026 0.91 CXCR2 (0.50) TSHRALDH1A1CXCR2TP53KDM4E
SCHEMBL3368009 0.88 TSHR (0.46) TSHRALDH1A1CXCR2TP53KDM4E
SCHEMBL3368363 0.88 TSHR (0.50) TSHRALDH1A1CXCR2TP53KDM4E
SCHEMBL13437612 0.86 CXCR2 (0.48) TSHRALDH1A1CXCR2TP53KDM4E
SCHEMBL3368711 0.86 CXCR2 (0.56) TSHRALDH1A1CXCR2TP53KDM4E
SCHEMBL3367397 0.85 ALDH1A1 (0.46) TSHRALDH1A1CXCR2TP53KDM4E
SCHEMBL3367935 0.84 TSHR (0.44) TSHRALDH1A1CXCR2TP53KDM4E
SCHEMBL3365614 0.84 ALDH1A1 (0.46) TSHRALDH1A1CXCR2TP53KDM4E
SCHEMBL13114635 0.83 ALDH1A1 (0.46) TSHRALDH1A1CXCR2KDM4EMAPT
SCHEMBL3368359 0.83 CXCR2 (0.59) TSHRALDH1A1CXCR2TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094696-B1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100069407-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-18 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-20100069407-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 TSHR 2129/4885ALDH1A1 931/4885CXCR2 1/4885

“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.