SCHEMBL320721

SCHEMBL320721

NC(=O)N(S)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
PLAU P00749 1/20 0.35
BCL2A1 Q16548 1/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL725811 0.89 MAPT (0.32) ALDH1A1
SCHEMBL3606664 0.80 CA2 (0.40) ALDH1A1CA1CA2
SCHEMBL3615251 0.80 ALDH1A1 (0.41) ALDH1A1PLAUNOS3NOS1
SCHEMBL526060 0.78 NPC1 (0.42) ALDH1A1CES2CES1CA1CA2
SCHEMBL3566684 0.78 ALOX5 (0.44) ALDH1A1CES2CES1
SCHEMBL4920991 0.78 ALOX5 (0.43) ALDH1A1CES2CES1CA1CA2
SCHEMBL449124 0.78
SCHEMBL525760 0.78 CES2 (0.45) CES2CES1PLAU
SCHEMBL5808336 0.77 KCNN4 (0.45) KCNN4ALDH1A1CES2CES1CA1
SCHEMBL1681249 0.77 NPSR1 (0.46) ALDH1A1CA1CA2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513430-B2 Substituted thiazol-2-ylamine derivatives, pharmaceutical compositions, and methods of use as 11-beta HSD1 modulators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-20 US disclosed
EP-2585068-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
EP-1866290-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-05-01 EP disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-20120245077-A1 PROKINETICIN 1 RECEPTOR MABUS JOHN R (US) 2012-09-27 US disclosed
US-8188081-B2 Methods of treating inflammation using prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-05-29 US disclosed
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-05-24 US disclosed
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 US disclosed
WO-2012015715-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 WO disclosed
WO-2012006003-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
EP-1869006-A1 PYRIMIDINDIONE DERIVATIVES AS PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-26 EP disclosed
EP-1868609-A2 PROKINETICIN 1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-26 EP disclosed
EP-1866290-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2007-12-19 EP disclosed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20060235018-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-19 US disclosed
WO-2006104715-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 WO disclosed
WO-2006104713-A1 PYRIMIDINDIONE DERIVATIVES AS PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 WO disclosed
WO-2006102112-A2 PROKINETICIN 1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 WO disclosed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 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 (5 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-20060235018-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR KCNN4 2064/4885ALDH1A1 3674/4885CES2 4642/4885
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR KCNN4 2064/4885ALDH1A1 3674/4885CES2 4642/4885
US-20070021422-A1 Prokineticin 1 receptor PROKR1, PROKR2, GIPR KCNN4 577/4885ALDH1A1 3305/4885CES2 3295/4885
US-20120245077-A1 PROKINETICIN 1 RECEPTOR PROKR1, PROKR2, GIPR KCNN4 577/4885ALDH1A1 3305/4885CES2 3295/4885
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 KCNN4 4303/4885ALDH1A1 196/4885CES2 769/4885

“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.