SCHEMBL22390640

SCHEMBL22390640

O=C(O)N[C@@H](CCOCc1ccccc1)C(=O)CCl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ CTSG P08311 2/20 0.43
▸ CMA1 P23946 2/20 0.43
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ MMP1 P03956 3/20 0.39
▸ MMP3 P08254 3/20 0.39
▸ ASAH1 Q13510 1/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ MME P08473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22390643 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HTTFOLH1CTSGCMA1
SCHEMBL22390659 0.89 LMNA (0.41) SMN1; SMN2HTTFOLH1LMNAPPARA
SCHEMBL22390662 0.89 LMNA (0.41) SMN1; SMN2HTTFOLH1LMNAPPARA
SCHEMBL22390782 0.86 FOLH1 (0.46) SMN1; SMN2HTTFOLH1CYP2C19LMNA
SCHEMBL22390783 0.86 FOLH1 (0.46) SMN1; SMN2HTTFOLH1CYP2C19LMNA
SCHEMBL22390749 0.84 SLC1A3 (0.41) SMN1; SMN2HTTFOLH1CTSGCMA1
SCHEMBL22390748 0.84 SLC1A3 (0.41) SMN1; SMN2HTTFOLH1CTSGCMA1
SCHEMBL22404743 0.84 PPARA (0.61) PPARA
SCHEMBL4291672 0.77 CTSG (0.65) SMN1; SMN2HTTCTSGCMA1MME
SCHEMBL6942656 0.77 CTSG (0.65) SMN1; SMN2HTTCTSGCMA1MME

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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 — — US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 — — US disclosed
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2020-09-10 — — 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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 SMN1; SMN2 899/4885HTT 2682/4885FOLH1 949/4885
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 SMN1; SMN2 899/4885HTT 2682/4885FOLH1 949/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 SMN1; SMN2 899/4885HTT 2682/4885FOLH1 949/4885

“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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