SCHEMBL3038092

SCHEMBL3038092

C[Si](C)(C)C#Cc1ccc(CNC[C@H](O)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.40
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
FFAR1 O14842 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
ACACB O00763 2/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
NPC1 O15118 1/20 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
SCHEMBL3038096 1.00 S1PR2 (0.40) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL3040217 0.86 ALDH1A1 (0.38) S1PR4ALDH1A1CYP1A2CYP2D6FFAR1
SCHEMBL3041584 0.81 NPC1 (0.41) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL3033829 0.81 NPC1 (0.41) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL3035879 0.81 NPC1 (0.41) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL3038153 0.80 FFAR1 (0.42) FFAR1
SCHEMBL3038526 0.78 ITGB1 (0.42) FFAR1ACACB
SCHEMBL3038524 0.78 ITGB1 (0.42) FFAR1ACACB
SCHEMBL3042474 0.78 ITGB1 (0.42) FFAR1ACACB
SCHEMBL5958393 0.77 CYP1A2 (0.44) CYP1A2CYP2D6FFAR1MEN1KMT2A

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 S1PR2 6/4885S1PR4 8/4885S1PR1 3/4885

“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.