SCHEMBL20187266

SCHEMBL20187266

Nc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NC(Cc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.56
ITGA2B P08514 4/20 0.56
CTSL P07711 3/20 0.56
TACR1 P25103 2/20 0.56
CTSB P07858 2/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
GPR34 Q9UPC5 1/20 0.53
F2 P00734 1/20 0.53
PLAU P00749 1/20 0.53
PLAT P00750 1/20 0.53
MME P08473 1/20 0.53
ECE1 P42892 1/20 0.53

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
SCHEMBL18228971 1.00 ITGB3 (0.56) ITGB3ITGA2BCTSLTACR1CTSB
SCHEMBL10724879 0.94 TACR1 (0.61) ITGB3ITGA2BCTSLTACR1CTSB
SCHEMBL10724885 0.94 TACR1 (0.61) ITGB3ITGA2BCTSLTACR1CTSB
SCHEMBL10724242 0.94 TACR1 (0.61) ITGB3ITGA2BCTSLTACR1CTSB
SCHEMBL10724240 0.94 TACR1 (0.61) ITGB3ITGA2BCTSLTACR1CTSB
SCHEMBL20187267 0.92 KDM1A (0.50) ITGB3ITGA2BCTSLTACR1CTSB
SCHEMBL20187270 0.92 KDM1A (0.50) ITGB3ITGA2BCTSLTACR1CTSB
SCHEMBL8258487 0.90 GPR34 (0.63) ITGB3ITGA2BCTSLTACR1CTSB
SCHEMBL7084689 0.90 ITGB3 (0.66) ITGB3ITGA2BCTSLTACR1CTSB
SCHEMBL10722503 0.90 GPR34 (0.63) ITGB3ITGA2BCTSLTACR1CTSB

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
EP-3280721-B1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2020-07-22 EP disclosed
US-10287316-B2 Process for preparation of nitrogen mustard derivatives ONCOPEPTIDES AB (SE) 2019-05-14 US disclosed
US-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2018-05-31 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 (2 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-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES CBR3, GRHPR, CTH ITGB3 4750/4885ITGA2B 4708/4885CTSL 1776/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH ITGB3 4750/4885ITGA2B 4708/4885CTSL 1776/4885

“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.