SCHEMBL2056847

SCHEMBL2056847

Cc1nc(C(=O)O)c(-c2cccc(F)c2F)s1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
HCRTR1 O43613 12/20 0.43
HCRTR2 O43614 12/20 0.43
GRK6 P43250 1/20 0.40
SLC9A1 P19634 1/20 0.40
JAK2 O60674 1/20 0.39
TSPO P30536 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CTSA P10619 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
SCHEMBL986346 0.89 HCRTR1 (0.43) DHODHHCRTR1HCRTR2TSPOOPRK1
SCHEMBL30775061 0.88 HCRTR1 (0.53) DHODHHCRTR1HCRTR2SLC9A1TSPO
SCHEMBL269323 0.88 HCRTR1 (0.53) DHODHHCRTR1HCRTR2SLC9A1TSPO
SCHEMBL268901 0.87 HCRTR1 (0.39) DHODHHCRTR1HCRTR2TSPOOPRK1
SCHEMBL2057220 0.85 HCRTR1 (0.43) DHODHHCRTR1HCRTR2SLC9A1JAK2
SCHEMBL1968436 0.81 HCAR2 (0.36) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1340615 0.79 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL269610 0.79 HPGD (0.47) HCRTR1HCRTR2SLC9A1
SCHEMBL1341636 0.78 NPC1 (0.42) HCRTR1HCRTR2
SCHEMBL269961 0.77 PIN1 (0.57) HCRTR1HCRTR2

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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR DHODH 1365/4885HCRTR1 2/4885HCRTR2 1/4885

“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.