SCHEMBL4827784

SCHEMBL4827784

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(-c2ccc(F)c(Cl)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.53
ITGB1 P05556 8/20 0.52
ITGA4 P13612 8/20 0.52
ITGB7 P26010 5/20 0.52
ERAP1 Q9NZ08 2/20 0.51
ALB P02768 2/20 0.48
IL2 P60568 2/20 0.48
KIFC1 Q9BW19 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
GPR34 Q9UPC5 3/20 0.46

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
SCHEMBL4827782 1.00 ECE1 (0.53) ECE1ITGB1ITGA4ITGB7ERAP1
SCHEMBL6497424 0.93 ECE1 (0.52) ECE1ITGB1ITGA4ITGB7ERAP1
SCHEMBL6497428 0.93 ECE1 (0.52) ECE1ITGB1ITGA4ITGB7ERAP1
SCHEMBL6097133 0.91 ITGB1 (0.51) ECE1ITGB1ITGA4ITGB7ERAP1
SCHEMBL3989525 0.91 ITGB1 (0.51) ECE1ITGB1ITGA4ITGB7ERAP1
SCHEMBL3991301 0.91 ITGB1 (0.51) ECE1ITGB1ITGA4ITGB7ERAP1
SCHEMBL4829787 0.91 ITGB1 (0.51) ECE1ITGB1ITGA4ITGB7ERAP1
SCHEMBL4829599 0.91 ERAP1 (0.51) ECE1ITGB1ITGA4ITGB7ERAP1
SCHEMBL4829604 0.91 ERAP1 (0.51) ECE1ITGB1ITGA4ITGB7ERAP1
SCHEMBL4824086 0.91 KIFC1 (0.59) ECE1ITGB1ITGA4ITGB7ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 ECE1 479/4885ITGB1 240/4885ITGA4 312/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO ECE1 1975/4885ITGB1 3853/4885ITGA4 3968/4885

“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.