SCHEMBL6858757

SCHEMBL6858757

CC(C)(C)NS(=O)(=O)c1cc(N2CCC(n3ccc4ccc(C#N)cc43)C2=O)ccc1-c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.36
FEN1 P39748 10/20 0.36
F10 P00742 1/20 0.34
ACLY P53396 1/20 0.33
MCHR1 Q99705 2/20 0.32
FPR2 P25090 2/20 0.32
ROCK2 O75116 2/20 0.32
TDP2 O95551 1/20 0.32
FPR1 P21462 1/20 0.32
CCR5 P51681 1/20 0.31

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
SCHEMBL6859645 0.69 F10 (0.63) F10FPR2FPR1
SCHEMBL6853311 0.68 F10 (0.42) ALOX5APFEN1F10
SCHEMBL7520638 0.67 FPR1 (0.35) ALOX5APFEN1F10FPR2FPR1
SCHEMBL6859578 0.66 ALDH1A1 (0.36) F10FPR2TDP2
SCHEMBL3831543 0.61 ALOX5AP (0.60) ALOX5APFEN1
SCHEMBL13148214 0.61 KMT2A (0.48)
Fluorobenzene SCHEMBL27495586 0.58 DRD2 (0.47)
SCHEMBL29519663 0.58 GABRG2 (0.43)
SCHEMBL1792671 0.58 ACLY (0.53) ALOX5APFEN1ACLY
SCHEMBL20340238 0.58 CDC7 (0.46)

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-6790845-B2 HAVING AN ATTACHED NON-AROMATIC HETEROCYCLIC RING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-14 US disclosed
US-20030087909-A1 Fused heterocyclic inhibitors of factor Xa BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 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-20030087909-A1 Fused heterocyclic inhibitors of factor Xa TFPI, F11, F12 ALOX5AP 3796/4885FEN1 933/4885F10 9/4885

“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.