SCHEMBL3034649

SCHEMBL3034649

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.36
CTSK P43235 1/20 0.36
FFAR1 O14842 1/20 0.36
ACACB O00763 5/20 0.35
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34

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
SCHEMBL3041617 1.00 POLB (0.40) POLBEGLN1ALDH1A1L3MBTL1S1PR1
SCHEMBL3034654 1.00 POLB (0.40) POLBEGLN1ALDH1A1L3MBTL1S1PR1
SCHEMBL3042474 0.83 ITGB1 (0.42) FFAR1ACACBCD274
SCHEMBL3038524 0.83 ITGB1 (0.42) FFAR1ACACBCD274
SCHEMBL3038526 0.83 ITGB1 (0.42) FFAR1ACACBCD274
SCHEMBL5958393 0.77 CYP1A2 (0.44) FFAR1ACACB
SCHEMBL20336758 0.76 ACE (0.49) POLBALDH1A1L3MBTL1
SCHEMBL7396775 0.76 POLB (0.62) POLBALDH1A1
SCHEMBL14793543 0.76 POLB (0.62) POLBALDH1A1
SCHEMBL14793559 0.76 POLB (0.62) POLBALDH1A1

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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US 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 POLB 4840/4885EGLN1 537/4885ALDH1A1 1328/4885

“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.