SCHEMBL22799780

SCHEMBL22799780

C=CCOCc1ccccc1C(=O)N[C@@H](Cc1cccc(C=C)c1)C(=O)N(C)OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.36
▸ ICMT O60725 1/20 0.35
▸ PYGL P06737 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NOS2 P35228 1/20 0.34
▸ CTSB P07858 4/20 0.33
▸ F10 P00742 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CTSL P07711 2/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ CTSV O60911 1/20 0.33

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
SCHEMBL22800072 0.85 CAPN1 (0.34) CAPN1ICMTCTSBKMT2ACTSL
SCHEMBL22800074 0.79 ICMT (0.35) CAPN1ICMTKMT2A
SCHEMBL22799771 0.75 JAK3 (0.48) CTSBCTSLCTSSCTSK
SCHEMBL22799775 0.71 SLC7A5 (0.42) NOS2
SCHEMBL22800780 0.68 ICMT (0.37) CAPN1ICMTALDH1A1KMT2A
SCHEMBL22799633 0.68 LIG1 (0.44) ALDH1A1KMT2A
SCHEMBL9910861 0.68 CASP1 (0.52) CTSBALDH1A1CTSLCTSSCTSK
SCHEMBL22799765 0.67 MAPT (0.35) ALDH1A1
SCHEMBL22799781 0.66 ALDH1A1 (0.51) HIF1AALDH1A1KMT2A
SCHEMBL1250617 0.65 MMP9 (0.55) PYGLCTSBALDH1A1CTSLCTSS

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 CAPN1 3/4885ICMT 4672/4885PYGL 1269/4885

“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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