SCHEMBL24358308

SCHEMBL24358308

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(c1ccccc1)(c1ccc(C2CCCCCC2)cc1)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.38
▸ CCR1 P32246 5/20 0.38
▸ PIN1 Q13526 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ FABP7 O15540 1/20 0.34
▸ FABP5 Q01469 1/20 0.34

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
SCHEMBL24358309 1.00 CASP3 (0.38) CASP3CCR1PIN1MDM4TP53
SCHEMBL23220747 1.00 CASP3 (0.38) CASP3CCR1PIN1MDM4TP53
SCHEMBL24579231 0.87 CASP3 (0.37) CASP3CCR1MDM4TP53FABP7
SCHEMBL23056431 0.87 CASP3 (0.38) CASP3CCR1MDM4TP53FABP7
SCHEMBL25658636 0.87 CASP3 (0.38) CASP3CCR1MDM4TP53FABP7
SCHEMBL25658641 0.87 CASP3 (0.38) CASP3CCR1MDM4TP53FABP7
SCHEMBL23056549 0.87 CASP3 (0.38) CASP3CCR1MDM4TP53FABP7
SCHEMBL23156917 0.87 CASP3 (0.38) CASP3CCR1MDM4TP53FABP7
SCHEMBL23056550 0.87 CASP3 (0.38) CASP3CCR1MDM4TP53FABP7
SCHEMBL24580474 0.86 CASP3 (0.37) CASP3CCR1MDM4TP53

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-20220125891-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-04-28 — — 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-20220125891-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE RNASE1, IRAK1, SERBP1 CASP3 1588/4885CCR1 2783/4885PIN1 1172/4885

“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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