SCHEMBL2642501

SCHEMBL2642501

O=S(=O)(c1cccc(Cl)c1Cl)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CTSS P25774 2/20 0.46
MCOLN3 Q8TDD5 1/20 0.44
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGES2 Q9H7Z7 2/20 0.41
CXCR2 P25025 3/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1B1 P15121 1/20 0.41
PGR P06401 1/20 0.39
CHRM1 P11229 2/20 0.39
COMT P21964 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL28039072 0.84 ALDH1A1 (0.51) TSHRCTSSKMT2AALDH1A1L3MBTL1
SCHEMBL2642487 0.83 ALDH1A1 (0.40) TSHRCTSSKMT2ACXCR2ALDH1A1
SCHEMBL2642491 0.81 COMT (0.45) TSHRCTSSCXCR2ALDH1A1L3MBTL1
SCHEMBL1248188 0.74 AKR1B1 (0.56) TSHRMCOLN3LMNAKMT2APTGES2
SCHEMBL2105627 0.74 CTSS (0.40) TSHRCTSSMCOLN3CHRM1
SCHEMBL4031272 0.73 ALDH1A1 (0.66) TSHRMCOLN3LMNAKMT2APTGES2
SCHEMBL3223437 0.73 HTR6 (0.47) CTSSCXCR2ALDH1A1L3MBTL1AKR1B1
SCHEMBL29519135 0.73 TSHR (0.53) TSHRMCOLN3LMNAKMT2APTGES2
SCHEMBL5607122 0.73 TSHR (0.53) TSHRMCOLN3LMNAKMT2APTGES2
SCHEMBL18457 0.73 TSHR (0.53) TSHRMCOLN3LMNAKMT2APTGES2

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 TSHR 2323/4885CTSS 2637/4885MCOLN3 4156/4885

“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.