SCHEMBL5149298

SCHEMBL5149298

COc1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)cc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.63
ICAM1 P05362 8/20 0.63
ITGAL P20701 8/20 0.63
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
P2RY14 Q15391 1/20 0.49
TP53 P04637 1/20 0.49
TACR1 P25103 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
SCHEMBL5149314 1.00 ITGB2 (0.63) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL4601887 0.93 MAPT (0.59) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL5155965 0.93 MAPT (0.59) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL5152256 0.90 ITGB2 (0.50) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL14007441 0.89 ITGB2 (0.49) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL14557840 0.89 ITGB2 (0.49) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL14007419 0.89 ITGB2 (0.49) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL14557571 0.84 ITGB2 (0.50) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL5155674 0.84 MAPT (0.51) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL5155672 0.84 MAPT (0.51) ITGB2ICAM1ITGALMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R ITGB2 4080/4885ICAM1 4413/4885ITGAL 4079/4885

“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.