SCHEMBL2432735

SCHEMBL2432735

COc1ccc(Cn2nc(C(=O)O)c3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.72
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
PKM P14618 2/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
PMP22 Q01453 1/20 0.55
HIF1A Q16665 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CHRM1 P11229 1/20 0.54
MCL1 Q07820 1/20 0.53
P2RX4 Q99571 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL16341865 0.91 PTGER4 (0.66) PTGER4CNR1CNR2PKMALDH1A1
SCHEMBL2433523 0.89 PTGER4 (0.68) PTGER4CNR1CNR2CHRM1P2RX4
SCHEMBL1225871 0.86 PTGER4 (0.66) PTGER4CNR1CNR2PKMALDH1A1
SCHEMBL29805498 0.86 PTGER4 (0.66) PTGER4CNR1CNR2PKMALDH1A1
SCHEMBL18322342 0.86 ALDH1A1 (0.63) PTGER4PKMALDH1A1GAACYP2C9
SCHEMBL1219481 0.86 PTGER4 (0.88) PTGER4CNR1CNR2
SCHEMBL24273636 0.85 PTGER4 (0.59) PTGER4CNR1ALDH1A1GAACYP1A2
SCHEMBL30493910 0.85 PTGER4 (0.59) PTGER4CNR1ALDH1A1GAACYP1A2
SCHEMBL6749291 0.85 CNR1 (0.59) PTGER4CNR1CNR2PKMALDH1A1
SCHEMBL3783075 0.84 PTGER4 (0.54) PTGER4CNR1PKMALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
CN-100471838-C VLA-4 inhibitors DAIICHI SEIYAKU CO (JP) 2009-03-25 CN disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 CN disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 CN disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 CN 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 576/4885CNR1 1127/4885CNR2 1894/4885

“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.