SCHEMBL3500128

SCHEMBL3500128

CCCc1c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)oc2cc(-c3ccc(Cl)cc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 9/20 0.55
ICAM1 P05362 9/20 0.55
ITGAL P20701 9/20 0.55
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CCKBR P32239 1/20 0.48
ECE1 P42892 1/20 0.48

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
SCHEMBL3500127 1.00 ITGB2 (0.55) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL3497412 0.92 MAPT (0.52) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL3497410 0.92 MAPT (0.52) ITGB2ICAM1ITGALMAPTHPGD
Benzotript SCHEMBL93960 0.75 ITGB2 (0.73) ITGB2ICAM1ITGALCCKBR
Benzotript SCHEMBL9818252 0.75 ITGB2 (0.73) ITGB2ICAM1ITGALCCKBR
SCHEMBL3498867 0.73 KMT2A (0.53) MMP2MEN1KMT2A
SCHEMBL3498868 0.73 KMT2A (0.53) MMP2MEN1KMT2A
SCHEMBL28401652 0.73 ALOX15 (0.69) ITGB2ICAM1ITGALMAPTPOLB
SCHEMBL28401650 0.73 ALOX15 (0.69) ITGB2ICAM1ITGALMAPTPOLB
SCHEMBL3499323 0.73 MCL1 (0.50) POLBKDM4EMEN1KMT2A

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 ITGB2 2080/4885ICAM1 4138/4885ITGAL 2539/4885

“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.