SCHEMBL1464091

SCHEMBL1464091

Cc1ccc(C(F)(F)F)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.55
NOTUM Q6P988 5/20 0.49
ASPH Q12797 1/20 0.47
CES2 O00748 1/20 0.47
DHODH Q02127 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
TAS2R14 Q9NYV8 2/20 0.43
GRIK1 P39086 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
P2RX1 P51575 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.41

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
Hydrochloric Acid SCHEMBL30498667 0.98 CSNK2A1 (0.53) CSNK2A1NOTUMASPHCES2DHODH
SCHEMBL107636 0.86 CSNK2A1 (0.52) CSNK2A1NOTUMASPHCES2TAS2R14
SCHEMBL27827977 0.86 CES2 (0.48) CSNK2A1NOTUMCES2AKR1C3AKR1C2
SCHEMBL24405771 0.85 CSNK2A1 (0.52) CSNK2A1NOTUMTAS2R14GRIK1RXRA
SCHEMBL18354210 0.85 CES2 (0.47) CSNK2A1NOTUMCES2AKR1C3AKR1C2
SCHEMBL12368663 0.83 CES2 (0.46) CSNK2A1NOTUMCES2DHODHAKR1C3
SCHEMBL16404629 0.83 CES2 (0.46) CSNK2A1NOTUMCES2AKR1C3AKR1C2
SCHEMBL4238024 0.82 CSNK2A1 (0.57) CSNK2A1NOTUMRXRBMEN1KMT2A
SCHEMBL18159377 0.80 CYP46A1 (0.53) NOTUMCES2P2RX1TMPRSS4LMNA
SCHEMBL13035850 0.80 GAA (0.46) CES2MEN1KMT2AALDH1A1P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
EP-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP disclosed
US-9732066-B2 Heterocyclic derivative and pharmaceutical drug NIPPON SHINY AKU CO., LTD. (JP) 2017-08-15 US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2016-09-01 US disclosed
EP-2303871-B1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed
US-7923470-B2 Benzooxazoles as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS KNUST HENNER 2011-03-24 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
CN-101903372-A Heteroaryl derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2010-12-01 CN disclosed
EP-2234999-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 US disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US 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 (9 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-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 CSNK2A1 1416/4885NOTUM 4444/4885ASPH 2609/4885
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A CSNK2A1 2020/4885NOTUM 2631/4885ASPH 228/4885
US-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R CSNK2A1 1944/4885NOTUM 2339/4885ASPH 364/4885
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A CSNK2A1 554/4885NOTUM 3434/4885ASPH 4231/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A CSNK2A1 554/4885NOTUM 3434/4885ASPH 4231/4885
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R CSNK2A1 1944/4885NOTUM 2339/4885ASPH 364/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A CSNK2A1 554/4885NOTUM 3434/4885ASPH 4231/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH CSNK2A1 703/4885NOTUM 4529/4885ASPH 2815/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH CSNK2A1 703/4885NOTUM 4529/4885ASPH 2815/4885

“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.