SCHEMBL22561476

SCHEMBL22561476

CC(=O)OCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCn2cc(CNC(=O)CCCC#Cc3cnc(S(C)(=O)=O)nc3)nn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ CCKAR P32238 1/20 0.31
▸ CCKBR P32239 1/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ PCSK9 Q8NBP7 1/20 0.30
▸ DRD2 P14416 2/20 0.30
▸ GRM5 P41594 2/20 0.30
▸ F2R P25116 1/20 0.30

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
SCHEMBL22618763 0.95 FOLH1 (0.34) FOLH1OPRM1NMT2NMT1CCKAR
SCHEMBL27189806 0.92 FOLH1 (0.34) FOLH1OPRM1NMT2NMT1CCKAR
SCHEMBL27189815 0.85 DGAT1 (0.35) FOLH1OPRM1CCKARCCKBRDGAT1
SCHEMBL22618791 0.84 FOLH1 (0.34) FOLH1OPRM1CCKARCCKBRNPY1R
SCHEMBL26603616 0.83 FOLH1 (0.34) FOLH1NMT2NMT1DGAT1F2R
SCHEMBL22618790 0.82 FOLH1 (0.30) FOLH1OPRM1
SCHEMBL23193003 0.81 FOLH1 (0.35) FOLH1OPRM1DRD2
SCHEMBL23193103 0.80 FOLH1 (0.34) FOLH1OPRM1
SCHEMBL22561392 0.80 FOLH1 (0.36) FOLH1OPRM1DGAT1DRD2
SCHEMBL23193195 0.80 OPRM1 (0.34) FOLH1OPRM1DRD2GRM5

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-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-04-08 — — US disclosed
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 — — 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 (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-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA FOLH1 207/4885OPRM1 4247/4885NMT2 773/4885

“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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