SCHEMBL5369878

SCHEMBL5369878

COc1ccc(Cn2nc(C(=O)Nc3cc(F)c(CC(=O)O)cc3Cl)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 9/20 0.56
▸ S1PR2 O95136 1/20 0.44
▸ CNR1 P21554 2/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ BUB1 O43683 1/20 0.42
▸ RIPK1 Q13546 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL14592697 0.90 PTGER4 (0.51) PTGER4CNR1POLBMAPTCNR2
SCHEMBL2430353 0.84 PTGER4 (0.53) PTGER4CNR1POLBMAPTCNR2
SCHEMBL27581126 0.83 PTGER4 (0.51) PTGER4CNR1POLBMAPTCNR2
SCHEMBL2429585 0.82 KDM4E (0.46) AKR1B1RIPK1CYP3A4TSHR
SCHEMBL3428359 0.76 PTGER4 (0.66) PTGER4CNR1POLBMAPTCNR2
SCHEMBL1219481 0.75 PTGER4 (0.88) PTGER4CNR1POLBCNR2
SCHEMBL2432735 0.74 PTGER4 (0.72) PTGER4CNR1CNR2CYP1A2CYP3A4
SCHEMBL16341256 0.74 PTGER4 (0.56) PTGER4CNR1POLBMAPTCNR2
SCHEMBL2433523 0.73 PTGER4 (0.68) PTGER4CNR1CNR2BUB1
SCHEMBL16340925 0.73 PTGER4 (0.63) PTGER4CNR1POLBMAPTCNR2

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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 — — US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 — — EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 PTGER4 576/4885S1PR2 789/4885CNR1 1127/4885

“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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