SCHEMBL23193195

SCHEMBL23193195

CS(=O)(=O)c1ncc(C#CCCCC(=O)NCc2cn(CCOCCNC(=O)COCC(=O)O)nn2)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.34
▸ FOLH1 Q04609 4/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ GRM5 P41594 2/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ TTR P02766 1/20 0.30
▸ IL2 P60568 1/20 0.30
▸ SIRT2 Q8IXJ6 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
SCHEMBL27409838 0.96 FOLH1 (0.31) OPRM1FOLH1MMP2MMP9MMP8
SCHEMBL21137502 0.82 MMP2 (0.30) MMP2MMP9MMP8MMP13
SCHEMBL22561301 0.81 — —
SCHEMBL27189806 0.81 FOLH1 (0.34) OPRM1FOLH1MMP2MMP9MMP8
SCHEMBL22561265 0.80 — —
SCHEMBL22561476 0.80 FOLH1 (0.34) OPRM1FOLH1DRD2GRM5
SCHEMBL22618763 0.79 FOLH1 (0.34) OPRM1FOLH1
SCHEMBL31697409 0.78 EPHX2 (0.36) —
SCHEMBL25696350 0.78 EPHX2 (0.36) —
SCHEMBL25045543 0.77 PARP14 (0.31) —

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 1 patent. 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

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 OPRM1 4247/4885FOLH1 207/4885DRD2 3750/4885

“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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