SCHEMBL21798435

SCHEMBL21798435

CC(C)=CCC[C@H](C)CCN(C(=O)O)[C@@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRM1 P11229 1/20 0.39
ALOX5 P09917 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL21798456 1.00 ATM (0.45) ATMTDP1L3MBTL1USP2ALOX15
SCHEMBL21798451 1.00 ATM (0.45) ATMTDP1L3MBTL1USP2ALOX15
SCHEMBL21798440 1.00 ATM (0.45) ATMTDP1L3MBTL1USP2ALOX15
SCHEMBL21798425 0.86 ATM (0.44) ATMTDP1L3MBTL1USP2ALOX15
SCHEMBL21798429 0.86 ATM (0.44) ATMTDP1L3MBTL1USP2ALOX15
SCHEMBL4226867 0.76 ALOX15 (0.45) ATMTDP1L3MBTL1USP2ALOX15
SCHEMBL960788 0.75 ALOX5 (0.45) ALDH1A1ALOX5TRPM8MTOR
SCHEMBL28032109 0.75 ALOX5 (0.47) L3MBTL1KDM4EALDH1A1ALOX5TRPM8
SCHEMBL21798479 0.73 CYP2C19 (0.41) TDP1TSHRKDM4EALDH1A1ALOX5
SCHEMBL21798476 0.73 CYP2C19 (0.41) TDP1TSHRKDM4EALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738064-B2 Chiral α-amino tertiary boronic esters PURDUE RESEARCH FOUNDATION (US) 2020-08-11 US disclosed
US-20200079799-A1 Novel Chiral Alfa-Amino Tertiary Boronic Esters PURDUE RESEARCH FOUNDATION (US) 2020-03-12 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-20200079799-A1 Novel Chiral Alfa-Amino Tertiary Boronic Esters HBB, BCAT1, BCAT2 ATM 4330/4885TDP1 4714/4885L3MBTL1 883/4885
US-10738064-B2 Chiral α-amino tertiary boronic esters HBB, BCAT1, BCAT2 ATM 3960/4885TDP1 4537/4885L3MBTL1 690/4885

“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.