SCHEMBL1508488

SCHEMBL1508488

O=C(O)COc1ccccc1OC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GLA P06280 1/20 0.61
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
PTGDR2 Q9Y5Y4 6/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
PKM P14618 1/20 0.46
RORC P51449 1/20 0.46
PTPN1 P18031 1/20 0.46
FFAR1 O14842 1/20 0.45

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
SCHEMBL29682135 0.84 L3MBTL1 (0.80) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL340762 0.84 L3MBTL1 (0.80) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
Ammonia Solution, Strong SCHEMBL28240461 0.82 L3MBTL1 (0.77) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL12840659 0.82 L3MBTL1 (0.61) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL19406532 0.81 ALDH1A1 (0.57) L3MBTL1POLBSMN1; SMN2GLARXRA
SCHEMBL1508470 0.80 RXRA (0.42) L3MBTL1POLBSMN1; SMN2GLARXRA
SCHEMBL4577451 0.80 PTGDR2 (0.56) POLBSMN1; SMN2PTGDR2FFAR4PKM
SCHEMBL15551585 0.79 USP2 (0.55) L3MBTL1POLBSMN1; SMN2GLARXRA
SCHEMBL22434874 0.79 PTGDR2 (0.55) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL8115884 0.79 L3MBTL1 (0.71) L3MBTL1POLBSMN1; SMN2GLAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP disclosed
US-20080306102-A1 NOVEL SPIROOXYINDOLE COMPOUNDS AND DRUGS CONTAINING SAME KOWA CO., LTD. (JP) 2008-12-11 US disclosed
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 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 (4 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 L3MBTL1 2338/4885POLB 4173/4885SMN1; SMN2 3695/4885
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H L3MBTL1 3988/4885POLB 4542/4885SMN1; SMN2 700/4885
US-20080306102-A1 NOVEL SPIROOXYINDOLE COMPOUNDS AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 L3MBTL1 3983/4885POLB 3897/4885SMN1; SMN2 4428/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H L3MBTL1 3977/4885POLB 4531/4885SMN1; SMN2 708/4885

“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.