SCHEMBL11929890

SCHEMBL11929890

CC=C(C#N)C(=O)c1cc2c(Cl)cccc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ NOD1 Q9Y239 3/20 0.41
▸ NOD2 Q9HC29 2/20 0.41
▸ AGTR1 P30556 3/20 0.40
▸ PCSK9 Q8NBP7 2/20 0.40
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL10002720 0.91 ALOX5 (0.41) ALOX5NOD1NOD2AGTR1PCSK9
SCHEMBL10002719 0.91 ALOX5 (0.41) ALOX5NOD1NOD2AGTR1PCSK9
SCHEMBL10003682 0.82 NOD2 (0.44) ALOX5NOD1NOD2AGTR1PCSK9
SCHEMBL10003441 0.79 ALOX5 (0.37) ALOX5NOD1NOD2AGTR1PSEN1
SCHEMBL10003151 0.79 NPC1 (0.37) ALOX5NOD1NOD2PSEN1PSEN2
SCHEMBL10003439 0.79 ALOX5 (0.37) ALOX5NOD1NOD2AGTR1PSEN1
SCHEMBL10003150 0.79 NPC1 (0.37) ALOX5NOD1NOD2PSEN1PSEN2
SCHEMBL10003163 0.79 NOD1 (0.53) ALOX5NOD1NOD2AGTR1PCSK9
SCHEMBL28195762 0.76 ALOX5 (0.60) ALOX5NOD1NOD2AGTR1PSEN1
SCHEMBL10002909 0.75 ALOX5 (0.42) ALOX5NOD1NOD2LMNAALDH1A1

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-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 ALOX5 2600/4885NOD1 1738/4885NOD2 2641/4885

“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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