SCHEMBL2124489

SCHEMBL2124489

COc1cc(Cl)c(CC(=O)O)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CHRM1 P11229 1/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
STING1 Q86WV6 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCL8 P10145 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 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
SCHEMBL16068896 0.93 HSD17B10 (0.51) HSD17B10SMN1; SMN2TAAR1CHRM1GAA
SCHEMBL3323483 0.91 HSD17B10 (0.53) HSD17B10TAAR1CHRM1GAAALDH1A1
SCHEMBL3326963 0.89 HSD17B10 (0.56) HSD17B10TAAR1CHRM1GAAALDH1A1
SCHEMBL2126424 0.86 HSD17B10 (0.49) HSD17B10SMN1; SMN2TAAR1CHRM1GAA
SCHEMBL2729269 0.83 GAA (0.53) HSD17B10CHRM1GAAALDH1A1TSHR
SCHEMBL2729087 0.82 TNFSF11 (0.50) HSD17B10GAAALDH1A1TSHRNFKB1
SCHEMBL3918194 0.81 HSD17B10 (0.47) HSD17B10GAAALDH1A1TSHRNFKB1
SCHEMBL4549702 0.81 GAA (0.53) HSD17B10TAAR1CHRM1GAAALDH1A1
SCHEMBL11312442 0.80 PTGS1 (0.48) HSD17B10CHRM1ALDH1A1MEN1CYP1A2
SCHEMBL11352517 0.80 MTNR1A (0.50) HSD17B10CHRM1GAAALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
WO-2013039187-A1 GUANIDINOBENZOIC ACID COMPOUND アステラス製薬株式会社 (JP) 2013-03-21 WO disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2443096-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 AstraZeneca AB (SE) 2012-04-25 EP disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
WO-2010146395-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 ASTRAZENECA AB (SE) 2010-12-23 WO disclosed
WO-2010146395-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 ASTRAZENECA AB (SE) 2010-12-23 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-20100324068-A1 CHEMICAL COMPOUNDS 785 GPBAR1, DGAT1, GPR119 HSD17B10 548/4885SMN1; SMN2 4504/4885TAAR1 315/4885
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 HSD17B10 1321/4885SMN1; SMN2 1384/4885TAAR1 1347/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 HSD17B10 319/4885SMN1; SMN2 4268/4885TAAR1 1246/4885

“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.