SCHEMBL2873702

SCHEMBL2873702

NC(=O)C1C2C=CC(O2)C1C(=O)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 7/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC4 P56524 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL9013304 0.85 PPM1B (0.39) PPM1BKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL9013023 0.82 PPM1B (0.42) PPM1BKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL13002242 0.77 PPM1B (0.52) PPM1BKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL9013063 0.74 ALDH1A1 (0.59) PPM1BKMT2AALDH1A1KDM4EMEN1
SCHEMBL13002241 0.73 PPM1B (0.41) PPM1BKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL31576083 0.72 PPM1B (0.35) PPM1B
SCHEMBL9260303 0.72 PPM1B (0.33) PPM1B
SCHEMBL4457037 0.71 ALDH1A1 (0.38) PPM1BKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL19189283 0.71 PPM1B (0.38) PPM1BKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL9633467 0.69 USP2 (0.32) ALDH1A1L3MBTL1HSD17B10

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-20140142279-A1 Method for peptide synthesis LALEZARI IRAJ (US) 2014-05-22 US claimed
US-20140142279-A1 Method for peptide synthesis LALEZARI IRAJ (US) 2014-05-22 US disclosed
EP-1778604-B1 PROCESS FOR PRODUCING SEC-BUTYL BENZENE EXXONMOBIL CHEM PATENTS INC (US) 2010-01-20 EP 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-20140142279-A1 Method for peptide synthesis VIP, DNPEP, NGLY1 PPM1B 4377/4885KMT2A 3046/4885ALDH1A1 4858/4885

“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.