SCHEMBL4490944

SCHEMBL4490944

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.54
FPR2 P25090 3/20 0.54
FPR1 P21462 2/20 0.40
AKR1C3 P42330 3/20 0.40
PDK2 Q15119 1/20 0.39
ALDH1A1 P00352 3/20 0.39
BRD9 Q9H8M2 1/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HCRTR1 O43613 1/20 0.38

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
SCHEMBL4475463 0.85 F10 (0.54) F10FPR2FPR1AKR1C3ALDH1A1
SCHEMBL4464013 0.85 F10 (0.54) F10FPR2FPR1AKR1C3ALDH1A1
SCHEMBL4464011 0.84 FPR2 (0.53) F10FPR2FPR1AKR1C3ALDH1A1
SCHEMBL4478595 0.79 F10 (0.55) F10FPR2FPR1
SCHEMBL4490491 0.78 F10 (0.36) F10FPR2FPR1ALDH1A1
SCHEMBL4683544 0.78 CCR1 (0.42) F10FPR2FPR1ALDH1A1HPGD
SCHEMBL3000521 0.77 HSD11B1 (0.37) F10FPR2FPR1ALDH1A1
SCHEMBL21515221 0.75 BRD9 (0.49) F10AKR1C3PDK2ALDH1A1BRD9
SCHEMBL5620894 0.75 FPR2 (0.53) F10FPR2FPR1ALDH1A1HPGD
SCHEMBL5619981 0.75 FPR2 (0.53) F10FPR2FPR1HPGD

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 4 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
US-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors SMALLHEER JOANNE M 2006-11-02 US 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 3867/4885FPR1 2550/4885
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, PRSS1 F10 31/4885FPR2 3872/4885FPR1 1791/4885

“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.