SCHEMBL21768262

SCHEMBL21768262

N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(NC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
BACE1 P56817 3/20 0.50
EGFR P00533 2/20 0.50
SRC P12931 1/20 0.50
MMP8 P22894 1/20 0.50
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
OPRK1 P41145 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
CTSC P53634 1/20 0.47

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
SCHEMBL21768259 1.00 PTPN1 (0.54) PTPN1BACE1EGFRSRCMMP8
SCHEMBL21768260 1.00 PTPN1 (0.54) PTPN1BACE1EGFRSRCMMP8
SCHEMBL16836902 0.89 BACE1 (0.56) PTPN1BACE1ALPIPKMPTGS1
SCHEMBL3114367 0.88 ALPI (0.61) EGFRSRCMMP8ALPIPKM
SCHEMBL7413310 0.88 ALPI (0.61) EGFRSRCMMP8ALPIPKM
Hydrochloric Acid SCHEMBL27492563 0.87 MMP8 (0.59) EGFRSRCMMP8ALPIPKM
Hydrochloric Acid SCHEMBL3385081 0.87 MMP8 (0.59) EGFRSRCMMP8ALPIPKM
SCHEMBL21781783 0.84 MMP8 (0.54) BACE1EGFRSRCMMP8ALPI
SCHEMBL21137540 0.84 MMP8 (0.54) BACE1EGFRSRCMMP8ALPI
SCHEMBL21768282 0.84 RAB9A (0.51)

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
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 US disclosed
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 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 (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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 PTPN1 1612/4885BACE1 549/4885EGFR 948/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 PTPN1 1612/4885BACE1 549/4885EGFR 948/4885

“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.