SCHEMBL17213746

SCHEMBL17213746

CC(C)(C)C#Cc1ccc(N=S)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL15556329 0.84 TDP1 (0.35) PTPN11MAPK1TDP1
SCHEMBL16471341 0.80 KMT2A (0.36) PTPN11
SCHEMBL21404172 0.74 PYCR1 (0.34) PTPN11MAPK1
SCHEMBL22881654 0.74 PTPN11 (0.33) PTPN11
SCHEMBL30632023 0.74 PYCR1 (0.34) PTPN11MAPK1
SCHEMBL15556764 0.74 CYP3A4 (0.44) PTPN11TDP1
SCHEMBL16478056 0.73 TRPV4 (0.52) MAPK1TDP1
SCHEMBL17831729 0.69 ESRRA (0.40) PTPN11
SCHEMBL15557574 0.69 HSD17B10 (0.53) MAPK1TDP1
SCHEMBL1921804 0.69 KCNH2 (0.48) PTPN11

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-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 — — 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PTPN11 2138/4885MAPK1 2229/4885TDP1 2690/4885

“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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