SCHEMBL22897282

SCHEMBL22897282

NC(=O)C(O)[C@@H](N)Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
IDO1 P14902 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
MDM2 Q00987 1/20 0.34
PYGL P06737 1/20 0.34
LAP3 P28838 3/20 0.33
PNMT P11086 1/20 0.33
ANPEP P15144 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
LTA4H P09960 1/20 0.33
TACR1 P25103 3/20 0.33
SLC9A1 P19634 1/20 0.33
TPMT P51580 1/20 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
SCHEMBL22886847 0.83 PNMT (0.56) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL540925 0.82 SLC6A4 (0.52) EPHX1PYGLLAP3ANPEPRNPEP
SCHEMBL26431200 0.79 EPHX1 (0.46) EPHX1IDO1HTR3EHTR3BHTR3A
SCHEMBL20027620 0.79 EPHX1 (0.43) EPHX1LAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL28306039 0.77 EPHX1 (0.42) EPHX1LAP3ANPEPRNPEPDNPEP
SCHEMBL10772763 0.74 SLC15A1 (0.56) EPHX1LAP3ANPEPRNPEPDNPEP
SCHEMBL4619659 0.74 SLC15A1 (0.56) EPHX1LAP3ANPEPRNPEPDNPEP
SCHEMBL6342154 0.74 SLC15A1 (0.56) EPHX1LAP3ANPEPRNPEPDNPEP
SCHEMBL289159 0.74 SLC15A1 (0.56) EPHX1LAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL10775336 0.73 SLC15A1 (0.54) EPHX1LAP3ANPEPRNPEPDNPEP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 EPHX1 4200/4885IDO1 4798/4885HTR3E 2960/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 EPHX1 4249/4885IDO1 4761/4885HTR3E 2038/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 EPHX1 4200/4885IDO1 4798/4885HTR3E 2960/4885

“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.