SCHEMBL7609380

SCHEMBL7609380

COC(=O)[C@@H](Cc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.50
ITGB7 P26010 2/20 0.50
KLK5 Q9Y337 2/20 0.46
ATM Q13315 2/20 0.45
POLB P06746 2/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CTRB1 P17538 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL17137969 1.00 ITGA4 (0.50) ITGA4ITGB7KLK5ATMPOLB
SCHEMBL13163803 1.00 ITGA4 (0.50) ITGA4ITGB7KLK5ATMPOLB
SCHEMBL1937057 0.94 ABCB1 (0.46) ITGA4ITGB7KLK5ATMPOLB
SCHEMBL8724334 0.88 ITGA4 (0.49) ITGA4ITGB7KLK5ATMCTSS
SCHEMBL8724329 0.88 ITGA4 (0.49) ITGA4ITGB7KLK5ATMCTSS
SCHEMBL12600955 0.88 ITGA4 (0.49) ITGA4ITGB7KLK5ATMCTSS
SCHEMBL11651226 0.87 ATM (0.45) ITGA4ITGB7ATMCTSSCTSL
SCHEMBL9321962 0.87 ATM (0.45) ITGA4ITGB7ATMCTSSCTSL
SCHEMBL8392929 0.87 ATM (0.45) ITGA4ITGB7ATMCTSSCTSL
SCHEMBL15702033 0.86 ITGA4 (0.38) ITGA4ITGB7KLK5ATMCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020142967-A1 Thrombin inhibitors ADANG A E P (NL) 2002-10-03 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-20020142967-A1 Thrombin inhibitors SERPINC1, DAO, CTRL ITGA4 294/4885ITGB7 1376/4885KLK5 4593/4885

“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.