SCHEMBL20187267

SCHEMBL20187267

Nc1ccc(C[C@H](NC(=O)OCc2ccc(Br)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
CTSL P07711 3/20 0.47
TGM2 P21980 1/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
TACR1 P25103 2/20 0.46
CTSB P07858 2/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL20187270 1.00 KDM1A (0.50) KDM1AITGB3ITGA2BCTSLTGM2
SCHEMBL20187266 0.92 ITGB3 (0.56) ITGB3ITGA2BCTSLMMETACR1
SCHEMBL18228971 0.92 ITGB3 (0.56) ITGB3ITGA2BCTSLMMETACR1
SCHEMBL20187271 0.88 MME (0.52) ITGB3ITGA2BCTSLMMEACE
SCHEMBL20187268 0.88 MME (0.52) ITGB3ITGA2BCTSLMMEACE
SCHEMBL20187260 0.86 CTSL (0.55) KDM1ACTSLTGM2CTSB
SCHEMBL20187261 0.86 CTSL (0.55) KDM1ACTSLTGM2CTSB
SCHEMBL10724242 0.86 TACR1 (0.61) ITGB3ITGA2BCTSLMMETACR1
SCHEMBL10724879 0.86 TACR1 (0.61) ITGB3ITGA2BCTSLMMETACR1
SCHEMBL10724240 0.86 TACR1 (0.61) ITGB3ITGA2BCTSLMMETACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107810189-B Process for the preparation of nitrogen mustard derivatives 肿瘤多肽股份公司 2022-02-11 CN disclosed
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 KDM1A 2748/4885ITGB3 4750/4885ITGA2B 4708/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH KDM1A 2748/4885ITGB3 4750/4885ITGA2B 4708/4885

“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.