SCHEMBL25536693

SCHEMBL25536693

CN(Cc1ccc([SH](C)C)cc1F)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.38
PYCR1 P32322 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SCN1A P35498 3/20 0.31
SCN5A Q14524 3/20 0.31
SCN8A Q9UQD0 3/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL25530592 0.77 CYP2C19 (0.50) RIPK1PYCR1KDM4EALDH1A1CYP1A2
SCHEMBL14438269 0.72 RIPK1 (0.53) RIPK1KDM4EALDH1A1
SCHEMBL901908 0.66 RIPK1 (0.34) RIPK1PYCR1SCN1ASCN5ASCN8A
SCHEMBL22763805 0.65 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL25488451 0.63 RIPK1 (0.50) RIPK1KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL26076059 0.63 ACHE (0.39)
SCHEMBL20665206 0.62 CYP2C19 (0.68) RIPK1PYCR1KDM4EALDH1A1CYP1A2
SCHEMBL25530593 0.62 CYP2C19 (0.53) PYCR1KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL4937359 0.61 NR1H2 (0.48) KDM4EALDH1A1
SCHEMBL20238171 0.61 SCN8A (0.42) RIPK1KDM4EALDH1A1SCN1ASCN5A

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 RIPK1 2036/4885PYCR1 2907/4885KDM4E 3027/4885

“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.