SCHEMBL17819341

SCHEMBL17819341

Cc1c(-c2ccn(-c3ccc(C#N)cc3Br)n2)n(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.42
CTSK P43235 3/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOTUM Q6P988 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL17819313 0.87 ELANE (0.39) ELANECTSKCYP2C9
SCHEMBL17819329 0.84 ELANE (0.50) ELANECTSKCYP2C9CYP3A4NOTUM
SCHEMBL17819368 0.81 ELANE (0.41) ELANECTSKALDH1A1CYP2C9CYP3A4
SCHEMBL17819346 0.77 ELANE (0.51) ELANECTSKCYP2C9CYP3A4NOTUM
SCHEMBL17964358 0.77 ELANE (0.47) ELANECTSKCYP2C9CYP3A4NOTUM
SCHEMBL17992472 0.76 KDM4E (0.36) ALDH1A1POLB
SCHEMBL17819296 0.76 ELANE (0.50) ELANECTSKCYP2C9CYP3A4NOTUM
SCHEMBL17819304 0.76 ELANE (0.62) ELANECTSKCYP2C9CYP3A4NOTUM
SCHEMBL21828992 0.74 ELANE (0.47) ELANECTSKCYP2C9CYP3A4
SCHEMBL17819328 0.73 ELANE (0.46) ELANECTSKCYP2C9

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-20160168101-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-16 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-20160168101-A1 NOVEL COMPOUNDS ELANE, SERPINB1, MPO ELANE 1/4885CTSK 46/4885ALDH1A1 99/4885

“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.