SCHEMBL1417136

SCHEMBL1417136

COCOc1cc(-c2ccc(OCc3ccccc3)cc2)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.56
GSTP1 P09211 2/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
CXCR1 P25024 2/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL4544345 0.88 SMPD1 (0.59) SMPD1GSTP1NPC1RAB9AL3MBTL1
SCHEMBL8378803 0.85 CHRM4 (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL20286381 0.83 RAB9A (0.52) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL27495196 0.82 SMPD1 (0.56) SMPD1GSTP1NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL8375536 0.81 SMPD1 (0.55) SMPD1GSTP1NPC1RAB9AL3MBTL1
SCHEMBL14996568 0.80 ABCB1 (0.41) SMPD1L3MBTL1CYP1A1CYP1A2CYP1B1
SCHEMBL1416805 0.80 ALDH1A1 (0.48) NPC1RAB9AMAPTTDP1CYP1A2
SCHEMBL1416869 0.80 RAB9A (0.40) SMPD1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL2969822 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL12004015 0.78 MAOB (0.42) SMPD1ABCG2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555055-B1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME LLC (US) 2022-08-03 EP disclosed
US-10864211-B2 Hydroxy isoxazole compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
EP-3555055-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS Merck Sharp & Dohme Corp. (US) 2019-10-23 EP disclosed
US-20190269679-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-09-05 US disclosed
WO-2018111734-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-06-21 WO disclosed
EP-2098517-B1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE MSD KK (JP) 2013-12-18 EP disclosed
US-8367708-B2 Phenyl-isoxazol-3-ol derivative MSD K.K. (JP) 2013-02-05 US disclosed
EP-2298750-A1 NOVEL ISOXAZOLE DERIVATIVE MSD K.K. (JP) 2011-03-23 EP disclosed
US-20110065739-A1 NOVEL ISOXAZOLE DRIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US disclosed
US-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2098517-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-09 EP 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-10864211-B2 Hydroxy isoxazole compounds useful as GPR120 agonists GPR119, GPR88, GPR180 SMPD1 2505/4885GSTP1 2727/4885NPC1 445/4885
US-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE GPR119, FFAR3, FFAR2 SMPD1 2416/4885GSTP1 3424/4885NPC1 451/4885
US-20110065739-A1 NOVEL ISOXAZOLE DRIVATIVE GPR119, GPR132, GPR180 SMPD1 1370/4885GSTP1 3927/4885NPC1 910/4885
US-20190269679-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 SMPD1 2505/4885GSTP1 2727/4885NPC1 445/4885

“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.