SCHEMBL4476255

SCHEMBL4476255

CSc1cc(C(=O)O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA6 P23280 5/20 0.57
CA9 Q16790 5/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
CA4 P22748 4/20 0.57
CA7 P43166 4/20 0.57
CA14 Q9ULX7 4/20 0.57
GAA P10253 2/20 0.57
POLB P06746 1/20 0.57
PTGS2 P35354 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 2/20 0.52
AR P10275 1/20 0.49
TP53 P04637 4/20 0.49
LMNA P02545 4/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49

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
SCHEMBL1545562 0.84 PKM (0.52) CA1CA2KDM4EMAPTGAA
SCHEMBL11321513 0.83 KDM4E (0.61) CA12CA1CA2CA6CA9
SCHEMBL10717016 0.83 KDM4E (0.61) CA12CA1CA2CA6CA9
SCHEMBL701970 0.80 TAS1R3 (0.50) CA12CA1CA2CA6CA9
SCHEMBL10453980 0.80 AR (0.49) CA12CA1CA2CA6CA9
SCHEMBL9645442 0.79 ALDH1A1 (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL9667921 0.79 KDM4E (0.77) CA12CA1CA2CA9KDM4E
SCHEMBL31401293 0.78 TSHR (0.59) CA12CA1CA2CA6CA9
SCHEMBL8725872 0.78 TSHR (0.59) CA12CA1CA2CA6CA9
SCHEMBL28154028 0.78 LMNA (0.49) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 US disclosed
CN-100396677-C 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-06-25 CN disclosed
US-7335466-B2 Silver salt photothermographic dry imaging material, image recording method and image forming method for the same KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-26 US disclosed
US-7335466-B2 Silver salt photothermographic dry imaging material, image recording method and image forming method for the same KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-26 US disclosed
US-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE-GMBH (DE) 2006-10-19 US disclosed
CN-1675197-A 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2005-09-28 CN disclosed
EP-1539741-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-06-15 EP disclosed
WO-2004018458-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE-GMBH (DE) 2004-03-04 WO disclosed
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP disclosed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 EP disclosed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 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 (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-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG CA12 4126/4885CA1 3585/4885CA2 1113/4885

“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.