SCHEMBL9983344

SCHEMBL9983344

CC(C(N)=O)N(C)c1cnc(-c2ccc(F)cc2)n(CCS(=O)(=O)CCc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 9/20 0.39
ELANE P08246 6/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTRC Q99895 1/20 0.36
PPARD Q03181 2/20 0.35
USP2 O75604 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
SCHEMBL2211551 0.78 ELANE (0.46) ELANE
SCHEMBL2211557 0.78 ELANE (0.46) ELANE
SCHEMBL9983036 0.77 PPARD (0.36) CMA1ELANEPPARD
SCHEMBL14174345 0.76 ELANE (0.46) ELANE
SCHEMBL9983132 0.70 ALDH1A1 (0.46) CMA1ELANEALDH1A1
SCHEMBL9983017 0.67 GPBAR1 (0.34)
SCHEMBL2210196 0.65 ELANE (0.47) ELANE
SCHEMBL2210201 0.65 ELANE (0.47) ELANE
SCHEMBL2212579 0.62 ELANE (0.49) ELANE
SCHEMBL2212581 0.62 ELANE (0.49) ELANE

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-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 CMA1 852/4885ELANE 592/4885CYP1A2 4001/4885

“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.