SCHEMBL9917048

SCHEMBL9917048

CCC(=O)N[C@H](C(C)=O)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
PSMB5 P28074 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL13154035 1.00 CYP2C9 (0.43) CYP2C9PSMB5MEN1KMT2AALDH1A1
SCHEMBL13154043 1.00 CYP2C9 (0.43) CYP2C9PSMB5MEN1KMT2AALDH1A1
SCHEMBL15996559 0.84 CYP2C9 (0.45) CYP2C9PSMB5MEN1KMT2AALDH1A1
SCHEMBL13932943 0.84 CYP2C9 (0.45) CYP2C9PSMB5MEN1KMT2AALDH1A1
SCHEMBL22267166 0.84 CYP2C9 (0.45) CYP2C9PSMB5MEN1KMT2AALDH1A1
SCHEMBL13122862 0.83 CYP2C9 (0.43) CYP2C9PSMB5MEN1KMT2AFAAH
SCHEMBL4195960 0.83 CYP2C9 (0.43) CYP2C9PSMB5ALDH1A1NPSR1
SCHEMBL8533308 0.83 CYP2C9 (0.43) CYP2C9PSMB5MEN1KMT2AFAAH
SCHEMBL13122868 0.83 CYP2C9 (0.43) CYP2C9PSMB5MEN1KMT2AFAAH
SCHEMBL8827985 0.83 CYP2C9 (0.43) CYP2C9PSMB5MEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195401-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD. (US) 2021-09-30 WO disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 US disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 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-20120149710-A1 SORTASE A INHIBITORS STS, ENGASE, SPR CYP2C9 1965/4885PSMB5 3847/4885MEN1 3994/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CYP2C9 262/4885PSMB5 1245/4885MEN1 4800/4885

“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.