SCHEMBL3038524

SCHEMBL3038524

C[C@H](NCc1ccc(C#C[Si](C)(C)C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.42
ITGA5 P08648 2/20 0.42
NR4A2 P43354 1/20 0.40
ACACB O00763 3/20 0.38
FFAR1 O14842 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL3042474 1.00 ITGB1 (0.42) ITGB1ITGA5NR4A2ACACBFFAR1
SCHEMBL3038526 1.00 ITGB1 (0.42) ITGB1ITGA5NR4A2ACACBFFAR1
SCHEMBL3041617 0.83 POLB (0.40) ACACBFFAR1CD274
SCHEMBL3034649 0.83 POLB (0.40) ACACBFFAR1CD274
SCHEMBL3034654 0.83 POLB (0.40) ACACBFFAR1CD274
SCHEMBL3040217 0.81 ALDH1A1 (0.38) ACACBFFAR1
SCHEMBL5958393 0.79 CYP1A2 (0.44) ACACBFFAR1
SCHEMBL6365980 0.79 LOXL2 (0.53) ITGB1ITGA5
SCHEMBL6365983 0.79 LOXL2 (0.53) ITGB1ITGA5
SCHEMBL3345164 0.78 ACACB (0.43) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 ITGB1 3678/4885ITGA5 793/4885NR4A2 1522/4885

“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.