SCHEMBL2474594

SCHEMBL2474594

Cc1cc(C2CC2C(=O)O)ccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.52
▸ S1PR1 P21453 3/20 0.52
▸ S1PR5 Q9H228 3/20 0.52
▸ S1PR3 Q99500 2/20 0.52
▸ USP30 Q70CQ3 1/20 0.40
▸ NR3C2 P08235 1/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ AR P10275 1/20 0.38
▸ MRGPRX4 Q96LA9 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
SCHEMBL4509439 1.00 FFAR1 (0.52) FFAR1S1PR1S1PR5S1PR3USP30
SCHEMBL14301510 0.82 FFAR1 (0.55) FFAR1S1PR1S1PR5S1PR3FFAR4
SCHEMBL6998999 0.82 FFAR1 (0.55) FFAR1S1PR1S1PR5S1PR3FFAR4
SCHEMBL6999004 0.82 FFAR1 (0.55) FFAR1S1PR1S1PR5S1PR3FFAR4
SCHEMBL13326647 0.81 S1PR1 (0.41) FFAR1S1PR1S1PR5S1PR3USP30
SCHEMBL25005998 0.80 TSHR (0.41) S1PR1S1PR5S1PR3USP30AR
SCHEMBL7003669 0.78 FFAR1 (0.51) FFAR1IDO1
SCHEMBL8152908 0.78 FFAR1 (0.51) FFAR1IDO1
SCHEMBL8152906 0.78 FFAR1 (0.51) FFAR1IDO1
SCHEMBL7003675 0.78 FFAR1 (0.51) FFAR1IDO1

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
EP-2370438-A1 IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION Exelixis, Inc. (US) 2011-10-05 — — EP disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 — — US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 — — 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 (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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 FFAR1 33/4885S1PR1 1/4885S1PR5 2/4885

“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.

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