SCHEMBL2054572

SCHEMBL2054572

CC(C)(C)c1ccc2[nH]nc(C(=O)O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 10/20 0.55
PRKAA1 Q13131 10/20 0.55
PRKAB1 Q9Y478 10/20 0.55
PRKAB2 O43741 9/20 0.54
PRKAA2 P54646 9/20 0.54
PRKAG3 Q9UGI9 9/20 0.54
PRKAG2 Q9UGJ0 9/20 0.54
HAO1 Q9UJM8 2/20 0.53
MAPK1 P28482 1/20 0.47
MAP2K4 P45985 1/20 0.47
MAPKAPK3 Q16644 1/20 0.47
MAPK6 Q16659 1/20 0.47
KIF11 P52732 2/20 0.47
LRRK2 Q5S007 1/20 0.43
JAK2 O60674 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL11911444 0.88 PRKAG1 (0.67) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL23029783 0.88 PRKAG1 (0.54) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL28206086 0.84 MAP2K4 (0.64) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13245137 0.84 KDM4E (0.60) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27992673 0.82 GABRA1 (0.56) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL1141650 0.80 PRKAG1 (0.64) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
Hydrochloric Acid SCHEMBL1141438 0.79 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL1406065 0.79 MAP2K4 (0.61) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL1690470 0.78 JAK2 (0.55) KIF11JAK2JAK1
SCHEMBL23108266 0.78 HAO1 (0.64) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766886-B2 Retinoic acid receptor antagonists as chaperone-mediated autophagy modulators and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2020-09-08 US disclosed
US-20190225599-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF ALBERT EINSTEIN COLLEGE MEDICINE INC (US) 2019-07-25 US disclosed
US-10189827-B2 Retinoic acid receptor antagonists as chaperone-mediated autophagy modulators and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2019-01-29 US disclosed
US-20180141937-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2018-05-24 US disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 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-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 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 (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-10189827-B2 Retinoic acid receptor antagonists as chaperone-mediated autophagy modulators and uses thereof RARA, RARB, RXRA PRKAG1 189/4885PRKAA1 564/4885PRKAB1 318/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 PRKAG1 3475/4885PRKAA1 2288/4885PRKAB1 3201/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 PRKAG1 4458/4885PRKAA1 3318/4885PRKAB1 4069/4885
US-20180141937-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF RARA, RARB, RXRA PRKAG1 189/4885PRKAA1 564/4885PRKAB1 318/4885
US-10766886-B2 Retinoic acid receptor antagonists as chaperone-mediated autophagy modulators and uses thereof RARA, RARB, RXRA PRKAG1 189/4885PRKAA1 564/4885PRKAB1 318/4885
US-20190225599-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF RARA, RARB, RXRA PRKAG1 189/4885PRKAA1 564/4885PRKAB1 318/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 PRKAG1 4375/4885PRKAA1 2283/4885PRKAB1 3961/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 PRKAG1 3923/4885PRKAA1 2690/4885PRKAB1 3653/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 PRKAG1 3475/4885PRKAA1 2288/4885PRKAB1 3201/4885

“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.