SCHEMBL2642487

SCHEMBL2642487

[O]c1c(Cl)cccc1S(=O)(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSS P25774 4/20 0.38
TSHR P16473 1/20 0.38
COMT P21964 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RIPK1 Q13546 2/20 0.35
CXCR2 P25025 2/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR1 P21554 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
FAAH O00519 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
SCHEMBL2642501 0.83 TSHR (0.50) ALDH1A1L3MBTL1CTSSTSHRCOMT
SCHEMBL28039072 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1CTSSTSHRCOMT
SCHEMBL2642491 0.80 COMT (0.45) ALDH1A1L3MBTL1CTSSTSHRCOMT
SCHEMBL16599651 0.72 FEN1 (0.38) ALDH1A1L3MBTL1TSHRCOMTMAPT
SCHEMBL2642804 0.72 HSD11B1 (0.44) ALDH1A1L3MBTL1TSHRMAPTMAPK1
SCHEMBL3223437 0.71 HTR6 (0.47) ALDH1A1L3MBTL1CTSSCXCR2HTR2A
SCHEMBL2642877 0.69 PSIP1 (0.39) ALDH1A1TSHRMAPTMAPK1CXCR2
SCHEMBL20789878 0.68 CA1 (0.55) TSHRCOMTHTR2AHTR2CKMT2A
SCHEMBL23174407 0.68 HTR2A (0.40) HTR2AHTR2C
SCHEMBL1139758 0.67 AKR1C3 (0.45) ALDH1A1L3MBTL1CTSSELOVL6FAAH

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-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK ALDH1A1 1558/4885L3MBTL1 4584/4885CTSS 2637/4885

“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.