SCHEMBL5887764

SCHEMBL5887764

O=C(OCc1ccccc1)C(Cc1ccc(I)cc1)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.54
ITGB7 P26010 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.48
TACR1 P25103 3/20 0.47
FPR2 P25090 3/20 0.47
POLB P06746 2/20 0.47
S1PR4 O95977 1/20 0.47
MAPT P10636 1/20 0.47
ACE P12821 1/20 0.46
MBTPS1 Q14703 1/20 0.46
ATM Q13315 1/20 0.45
TYR P14679 1/20 0.45

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
SCHEMBL5887767 1.00 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1FPR2
SCHEMBL4169003 0.92 ITGA4 (0.60) ITGA4ITGB7TRPM8TACR1POLB
SCHEMBL20394533 0.92 ITGA4 (0.60) ITGA4ITGB7TRPM8TACR1POLB
SCHEMBL5887617 0.88 PPARG (0.50) ITGA4ITGB7TACR1FPR2ATM
SCHEMBL5887621 0.88 PPARG (0.50) ITGA4ITGB7TACR1FPR2ATM
SCHEMBL5887331 0.88 ATM (0.59) ITGA4ITGB7TRPM8FPR2POLB
SCHEMBL5887328 0.88 ATM (0.59) ITGA4ITGB7TRPM8FPR2POLB
SCHEMBL5887603 0.86 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1FPR2
SCHEMBL2855306 0.86 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1POLB
SCHEMBL2855310 0.86 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH ITGA4 4068/4885ITGB7 4304/4885TRPM8 4875/4885

“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.