SCHEMBL2056320

SCHEMBL2056320

CCc1ccc2[nH]nc(C(=O)O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 3/20 0.57
PRKAG1 P54619 9/20 0.55
PRKAA1 Q13131 9/20 0.55
PRKAB1 Q9Y478 9/20 0.55
GSK3B P49841 1/20 0.53
PRKAB2 O43741 8/20 0.51
PRKAA2 P54646 8/20 0.51
PRKAG3 Q9UGI9 8/20 0.51
PRKAG2 Q9UGJ0 8/20 0.51
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CA12 O43570 1/20 0.46
ALPL P05186 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL11919262 0.88 PRKAG1 (0.51) HAO1PRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL13554360 0.86 JAK2 (0.50) HAO1PRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL13267443 0.85 KDM4E (0.61) HAO1PRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL1965993 0.84 HAO1 (0.51) HAO1PRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL1964284 0.84 HAO1 (0.53) HAO1PRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL13554357 0.84 YTHDC1 (0.60) HAO1GSK3BNPC1LMNAMAPT
SCHEMBL13554345 0.82 GSK3B (0.60) GSK3BNPC1LMNAMAPTRAB9A
SCHEMBL28253036 0.82 HAO1 (0.52) HAO1PRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL28763159 0.82 HAO1 (0.49) HAO1PRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL27955206 0.81 HAO1 (0.53) HAO1PRKAG1PRKAA1PRKAB1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890143-B2 Retinoic acid receptor antagonists as chaperone-mediated authophagy modulators and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2018-02-13 US disclosed
US-20170037039-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTHOPHAGY MODULATORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-02-09 US disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 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 (7 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 HAO1 1896/4885PRKAG1 3475/4885PRKAA1 2288/4885
US-20170037039-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTHOPHAGY MODULATORS AND USES THEREOF RXRA, RARB, RARA HAO1 1866/4885PRKAG1 159/4885PRKAA1 404/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 HAO1 1896/4885PRKAG1 3475/4885PRKAA1 2288/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 HAO1 1917/4885PRKAG1 4458/4885PRKAA1 3318/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 HAO1 1552/4885PRKAG1 4375/4885PRKAA1 2283/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 HAO1 2609/4885PRKAG1 3923/4885PRKAA1 2690/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 HAO1 1896/4885PRKAG1 3475/4885PRKAA1 2288/4885

“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.