SCHEMBL3517253

SCHEMBL3517253

Nc1ccc(CNC(=O)CI)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 6/20 0.53
EPHX2 P34913 1/20 0.53
PPID Q08752 3/20 0.48
EPHX1 P07099 1/20 0.47
PPIB P23284 2/20 0.46
PPIA P62937 1/20 0.46
PPIG Q13427 1/20 0.46
PRSS1 P07477 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL18868428 0.82 ALDH1A1 (0.61) TPSAB1CA1CA2LMNAGAA
SCHEMBL21781874 0.82 CA1 (0.64) TPSAB1EPHX2PPIDEPHX1PPIB
SCHEMBL6896194 0.81 TPSAB1 (0.58) TPSAB1EPHX2PPIDEPHX1PPIB
SCHEMBL7753239 0.81 TPSAB1 (0.53) TPSAB1EPHX2PPIDEPHX1PPIB
SCHEMBL18877325 0.81 KMT2A (0.65) TPSAB1EPHX2
SCHEMBL15651444 0.81 PPID (0.54) TPSAB1EPHX2PPIDEPHX1PPIB
SCHEMBL7037785 0.80 GAA (0.66) LMNAGAAHTT
SCHEMBL258716 0.79 CYP2C9 (0.62) TPSAB1EPHX2PPIDEPHX1PPIB
SCHEMBL15939528 0.79 PPID (0.65) TPSAB1EPHX2PPIDEPHX1PPIB
SCHEMBL12604611 0.78 EPHX2 (0.78) EPHX2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501498-B2 Mass tags for quantitative analyses DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-08-06 US disclosed
US-8501498-B2 Mass tags for quantitative analyses DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-08-06 US disclosed
US-20100311175-A1 MASS TAGS FOR QUANTITATIVE ANALYSES Life Technologies Corporation (US) 2010-12-09 US disclosed
US-20100311175-A1 MASS TAGS FOR QUANTITATIVE ANALYSES Life Technologies Corporation (US) 2010-12-09 US disclosed
EP-1994413-A2 MASS TAGS FOR QUANTITATIVE ANALYSES Applera Corporation (US) 2008-11-26 EP disclosed
WO-2007100506-A2 MASS TAGS FOR QUANTITATIVE ANALYSES APPLERA CORPORATION (US) 2007-09-07 WO disclosed
EP-1776588-A1 MASS TAGS FOR QUANTITATIVE ANALYSES Applera Corporation (US) 2007-04-25 EP disclosed
US-20070048752-A1 Mass tags for quantitative analyses APPLERA CORPORATION (US) 2007-03-01 US disclosed
US-20060172319-A1 Mass tags for quantitative analyses APPLERA CORPORATION (US) 2006-08-03 US disclosed
WO-2006017208-A1 MASS TAGS FOR QUANTITATIVE ANALYSES APPLERA CORPORATION (US) 2006-02-16 WO 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 (3 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-20100311175-A1 MASS TAGS FOR QUANTITATIVE ANALYSES SRMS, PTMS, TMT1A TPSAB1 692/4885EPHX2 147/4885PPID 2061/4885
US-20070048752-A1 Mass tags for quantitative analyses SRMS, PTMS, TMT1A TPSAB1 692/4885EPHX2 147/4885PPID 2061/4885
US-20060172319-A1 Mass tags for quantitative analyses SRMS, PTMS, TMT1A TPSAB1 692/4885EPHX2 147/4885PPID 2061/4885

“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.