SCHEMBL2196744

SCHEMBL2196744

CC(C)(C)COc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.57
RXRA P19793 2/20 0.57
RXRB P28702 2/20 0.57
PKM P14618 1/20 0.56
PLA2G4B P0C869 3/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RARB P10826 3/20 0.50

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
SCHEMBL12492047 0.87 NR4A2 (0.55) NR4A2RXRARXRBPKMPLA2G4B
SCHEMBL27697782 0.85 NR4A2 (0.54) NR4A2RXRARXRBPKMPLA2G4B
SCHEMBL5789164 0.85 L3MBTL1 (0.63) POLBRAB9ASMN1; SMN2HTT
SCHEMBL17176884 0.84 PKM (0.60) NR4A2RXRARXRBPKMPLA2G4B
SCHEMBL11693473 0.84 RXRA (0.53) NR4A2RXRARXRBPKMPLA2G4B
SCHEMBL12492666 0.84 CA1 (0.53) NR4A2RXRARXRBPKMPLA2G4B
SCHEMBL14033180 0.84 PPARA (0.61) MAPK1RAB9ASMN1; SMN2HTT
SCHEMBL18997044 0.83 PARP10 (0.65) TSHRCA1CA2USP2
SCHEMBL468288 0.81 MAPT (0.49) NR4A2RXRARXRBCA1CA2
SCHEMBL13366190 0.81 MAPT (0.68) CA1CA2NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372885-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-02-12 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-05-13 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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 (3 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-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 NR4A2 1408/4885RXRA 444/4885RXRB 529/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB NR4A2 995/4885RXRA 732/4885RXRB 546/4885
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R NR4A2 3133/4885RXRA 2656/4885RXRB 2309/4885

“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.