SCHEMBL21854380

SCHEMBL21854380

Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CNC(=O)O)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KLKB1 P03952 1/20 0.49
CAPN1 P07384 11/20 0.48
ALDH1A1 P00352 2/20 0.48
DHODH Q02127 2/20 0.44
CTSS P25774 1/20 0.43

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
SCHEMBL21854383 1.00 MAPT (0.56) MAPTKLKB1CAPN1ALDH1A1DHODH
SCHEMBL21854260 0.94 MAPT (0.54) MAPTKLKB1CAPN1ALDH1A1DHODH
SCHEMBL20027980 0.94 MAPT (0.54) MAPTKLKB1CAPN1ALDH1A1DHODH
SCHEMBL21854298 0.94 MAPT (0.56) MAPTKLKB1CAPN1ALDH1A1DHODH
SCHEMBL20027975 0.94 MAPT (0.56) MAPTKLKB1CAPN1ALDH1A1DHODH
SCHEMBL20027971 0.93 MAPT (0.52) MAPTKLKB1CAPN1ALDH1A1CTSS
SCHEMBL21854041 0.93 MAPT (0.52) MAPTKLKB1CAPN1ALDH1A1CTSS
SCHEMBL20027970 0.93 MAPT (0.52) MAPTKLKB1CAPN1ALDH1A1DHODH
SCHEMBL21854080 0.93 MAPT (0.52) MAPTKLKB1CAPN1ALDH1A1DHODH
SCHEMBL20027978 0.93 MAPT (0.52) MAPTKLKB1CAPN1ALDH1A1DHODH

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-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 US disclosed
US-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2020-04-23 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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 MAPT 562/4885KLKB1 3617/4885CAPN1 3/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 MAPT 562/4885KLKB1 3617/4885CAPN1 3/4885

“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.