SCHEMBL142932

SCHEMBL142932

CCC(CC)C(C(=O)O)(C(=O)O)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPD P32754 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR3 P49019 2/20 0.37
TTR P02766 1/20 0.37
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL11337539 0.84 TDP1 (0.40) ATMTDP1HPDALDH1A1MAPT
SCHEMBL1343471 0.78 TDP1 (0.45) ATMTDP1HPDALDH1A1MAPT
SCHEMBL10779486 0.78 ATM (0.45) ATMTDP1HPDALDH1A1MAPT
SCHEMBL10779478 0.78 ATM (0.45) ATMTDP1HPDALDH1A1MAPT
SCHEMBL5150306 0.78 TDP1 (0.45) ATMTDP1HPDALDH1A1MAPT
SCHEMBL140212 0.78 PDE2A (0.37) ALDH1A1MEN1KMT2AHPGD
SCHEMBL3714543 0.77 ATM (0.50) ATMTDP1ALDH1A1MAPTMEN1
SCHEMBL3714548 0.77 ATM (0.50) ATMTDP1ALDH1A1MAPTMEN1
SCHEMBL10683480 0.77 ALDH1A1 (0.52) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28537382 0.73 THRB (0.42) ATMTDP1ALDH1A1MAPTMEN1

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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK ATM 1166/4885TDP1 370/4885HPD 1407/4885

“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.