SCHEMBL4135846

SCHEMBL4135846

CNC(=O)c1cc([S+]([O-])c2ccc(Br)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.48
NOTUM Q6P988 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPY5R Q15761 1/20 0.37
CCR1 P32246 2/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TRPV4 Q9HBA0 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
SCHEMBL4125906 0.92 ELANE (0.49) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4141673 0.91 ELANE (0.48) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4137740 0.89 ELANE (0.62) ELANENOTUM
SCHEMBL4131349 0.87 ELANE (0.47) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4132411 0.87 ELANE (0.48) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4131491 0.86 ELANE (0.65) ELANE
SCHEMBL4136723 0.84 ELANE (0.48) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4135840 0.83 ELANE (0.52) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4137945 0.83 ELANE (0.45) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL8220444 0.81 NOTUM (0.53) ELANENOTUMSMN1; SMN2NPY5RCCR1

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
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 US claimed
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO ELANE 2/4885NOTUM 2654/4885SMN1; SMN2 1429/4885

“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.