SCHEMBL24488604

SCHEMBL24488604

C[C@@H](C(=O)N[C@H](C(=O)N1CCCC1Cn1cc(C(=O)N(C)C)c2cc(Cl)ccc21)C1CCCCC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.40
▸ IL1B P01584 3/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ CNR2 P34972 1/20 0.34
▸ TNF P01375 4/20 0.33
▸ F2 P00734 3/20 0.33
▸ PLAT P00750 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ BIRC2 Q13490 3/20 0.32

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
SCHEMBL24067351 1.00 CNR1 (0.40) CNR1IL1BP2RX7CNR2TNF
SCHEMBL22450721 0.95 CNR1 (0.41) CNR1IL1BP2RX7CNR2TNF
SCHEMBL24067349 0.90 CNR1 (0.43) CNR1IL1BP2RX7CNR2F2
SCHEMBL24067457 0.87 CNR1 (0.41) CNR1IL1BP2RX7CNR2TNF
SCHEMBL22450852 0.87 CNR1 (0.41) CNR1IL1BP2RX7CNR2TNF
SCHEMBL24488620 0.86 CNR1 (0.34) CNR1IL1BP2RX7TNFF2
SCHEMBL24067389 0.86 CNR1 (0.44) CNR1CNR2TNFBIRC2
SCHEMBL22450602 0.86 CNR1 (0.44) CNR1CNR2TNFBIRC2
SCHEMBL24067347 0.86 CNR1 (0.44) CNR1CNR2TNFBIRC2
SCHEMBL24488619 0.86 CNR1 (0.42) CNR1IL1BP2RX7CNR2TNF

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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-09 — — 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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR BIRC5, XIAP, BIRC2 CNR1 4767/4885IL1B 784/4885P2RX7 3029/4885

“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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