SCHEMBL14558117

SCHEMBL14558117

CC(Cc1ccc(F)c(CN(C)C(C)C)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ HPGD P15428 1/20 0.38
▸ TBXAS1 P24557 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PLA2G10 O15496 3/20 0.36
▸ PLA2G2A P14555 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ PLA2G5 P39877 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.36
▸ PLA2G12B Q9BX93 1/20 0.36
▸ PLA2G12A Q9BZM1 1/20 0.36
▸ PLA2G2F Q9BZM2 1/20 0.36
▸ PLA2G3 Q9NZ20 1/20 0.36
▸ PLA2G2E Q9NZK7 1/20 0.36
▸ PLA2G2D Q9UNK4 1/20 0.36
▸ PRSS1 P07477 2/20 0.36

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
SCHEMBL14611313 0.89 CYP2D6 (0.44) PPARDPPARAHPGDTBXAS1KDM4E
SCHEMBL14558115 0.81 FFAR1 (0.42) ALDH1A1
SCHEMBL6003686 0.79 TBXAS1 (0.44) PPARDPPARATBXAS1PLA2G10PLA2G2A
SCHEMBL6003677 0.79 TBXAS1 (0.44) PPARDPPARATBXAS1PLA2G10PLA2G2A
SCHEMBL6005325 0.79 TBXAS1 (0.44) PPARDPPARATBXAS1PLA2G10PLA2G2A
SCHEMBL31067929 0.79 TBXAS1 (0.44) PPARDPPARATBXAS1PLA2G10PLA2G2A
SCHEMBL14558096 0.78 HPGD (0.48) PPARAHPGDTBXAS1PLA2G10PLA2G2A
SCHEMBL28009302 0.75 PLA2G10 (0.42) PPARDPPARATBXAS1KDM4EPLA2G10
SCHEMBL15709740 0.75 PLA2G10 (0.42) PPARDPPARATBXAS1KDM4EPLA2G10
SCHEMBL15709334 0.75 PLA2G10 (0.42) PPARDPPARATBXAS1KDM4EPLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 PPARD 1974/4885PPARA 921/4885HPGD 4172/4885

“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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