SCHEMBL1000649

SCHEMBL1000649

O=C(O)c1cccc(Sc2ccc(F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
HSD17B10 Q99714 1/20 0.59
APEX1 P27695 1/20 0.51
NR4A2 P43354 1/20 0.48
ALDH1A1 P00352 2/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DDB1 Q16531 1/20 0.43

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
SCHEMBL1447749 0.87 HPGD (0.66) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL6778027 0.87 HPGD (0.70) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL31383422 0.87 CYP1A2 (0.76) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL2406839 0.87 CYP1A2 (0.76) HPGDCYP1A2CYP2C9HSD17B10APEX1
Hydrochloric Acid SCHEMBL7134403 0.86 HPGD (0.63) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL14471210 0.84 HPGD (0.61) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL6759683 0.83 HPGD (0.59) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL14256455 0.82 CYP1A2 (0.54) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL16880960 0.80 UNG (0.59) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL2887753 0.79 RAB9A (0.55) HPGDCYP1A2CYP2C9HSD17B10APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104352492-B Extend enzyme inhibitor using arylsulfonyl derivatives as the long chain fatty acids of active ingredient MSD K.K.公司 2017-12-05 CN disclosed
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 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 (1 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 HPGD 2017/4885CYP1A2 298/4885CYP2C9 380/4885

“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.