SCHEMBL4475463

SCHEMBL4475463

O=C1CCCCN1c1ccc(N2CCCC(Br)C2=O)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.54
FPR2 P25090 3/20 0.52
BRD9 Q9H8M2 1/20 0.39
FPR1 P21462 2/20 0.38
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL4464013 0.85 F10 (0.54) F10FPR2BRD9FPR1AKR1C3
SCHEMBL4490944 0.85 F10 (0.54) F10FPR2BRD9FPR1AKR1C3
SCHEMBL4464011 0.81 FPR2 (0.53) F10FPR2FPR1AKR1C3ALDH1A1
SCHEMBL4683395 0.79 CCR1 (0.40) F10FPR2FPR1ALDH1A1
SCHEMBL21515221 0.75 BRD9 (0.49) F10BRD9AKR1C3ALDH1A1CYP3A4
SCHEMBL16178892 0.74 BRD9 (0.46) F10BRD9AKR1C3ALDH1A1CYP3A4
SCHEMBL23168339 0.74 F10 (0.43) F10FPR2BRD9AKR1C3ALDH1A1
SCHEMBL5620894 0.73 FPR2 (0.53) F10FPR2FPR1ALDH1A1
SCHEMBL77996 0.73 BRD9 (0.47) F10BRD9AKR1C3ALDH1A1CYP3A4
SCHEMBL23168368 0.72 FPR2 (0.55) F10FPR2BRD9FPR1AKR1C3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
EP-1501798-A4 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
US-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors SMALLHEER JOANNE M 2006-11-02 US disclosed
EP-1501798-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO disclosed
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-01-08 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 (2 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-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, F5 F10 38/4885FPR2 3867/4885BRD9 1655/4885
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, PRSS1 F10 31/4885FPR2 3872/4885BRD9 1817/4885

“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.