SCHEMBL22045372

SCHEMBL22045372

CCNC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.52
▸ TLR2 O60603 2/20 0.52
▸ F2 P00734 2/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ CALCRL Q16602 1/20 0.48
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNG P07510 1/20 0.47
▸ CHRNB1 P11230 1/20 0.47
▸ CHRND Q07001 1/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ GHSR Q92847 1/20 0.47
▸ SSTR3 P32745 1/20 0.47
▸ MMP2 P08253 1/20 0.46

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
SCHEMBL22388988 0.91 GNPAT (0.53) GNPATCALCRLOPRK1OPRM1GHSR
SCHEMBL25062471 0.90 TLR2 (0.57) GNPATTLR2F2CHRNB2CHRNB4
SCHEMBL24766217 0.89 GNPAT (0.60) GNPATCALCRLOPRK1GHSRSSTR3
SCHEMBL23901052 0.89 MMP2 (0.54) GNPATMMP2
SCHEMBL10525421 0.89 GNPAT (0.59) GNPATTLR2OPRK1
SCHEMBL24497002 0.85 GNPAT (0.47) GNPATTLR2F2CHRNB2CHRNB4
SCHEMBL25475207 0.85 GNPAT (0.47) GNPATTLR2F2CHRNB2CHRNB4
SCHEMBL21549718 0.85 GHSR (0.55) GNPATGHSR
SCHEMBL23128421 0.85 GNPAT (0.52) GNPATOPRK1GHSRMMP2
SCHEMBL30799852 0.84 OPRK1 (0.52) GNPATOPRK1OPRM1

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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 — — US disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 — — 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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 GNPAT 4401/4885TLR2 2134/4885F2 2079/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 GNPAT 4401/4885TLR2 2134/4885F2 2079/4885

“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.

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