Sugi Predict

Sugi Predict / Compounds / SCHEMBL319223

SCHEMBL319223

SCHEMBL319223

N#Cc1ccc(C(=O)CO)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.68
▸ CA2 P00918 4/20 0.57
▸ CA1 P00915 3/20 0.57
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PARP15 Q460N3 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 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
SCHEMBL11983785 0.84 GSK3B (0.70) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL2303848 0.81 GSK3B (0.66) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL1146988 0.81 RAB9A (0.71) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL28083744 0.81 GSK3B (0.66) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL13545641 0.81 GSK3B (0.66) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL8286989 0.81 GSK3B (0.66) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL1657827 0.81 GSK3B (0.66) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL311121 0.81 GSK3B (0.66) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL10222530 0.81 GSK3B (0.66) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL250688 0.81 GSK3B (1.00) GSK3BCA2CA1RAB9AALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135814-B Method for synthesizing chiral 1, 2-diol compound 温州大学 2022-08-02 — — CN disclosed
CN-113135814-A Method for synthesizing chiral 1, 2-diol compound 温州大学 2021-07-20 — — CN disclosed
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 — — EP disclosed
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 — — EP disclosed
CN-110015983-A 1,2- dicarbapentaborane class compound and its synthetic method 华东师范大学 2019-07-16 — — CN disclosed
US-10085450-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-10-02 — — US disclosed
CN-105636957-B Terazololine-one compound and application thereof 住友化学株式会社 2018-05-11 — — CN disclosed
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 — — US disclosed
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 — — US disclosed
EP-3059235-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Ltd. (JP) 2016-08-24 — — EP disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 — — US disclosed
CN-103097365-A 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO SA 2013-05-08 — — CN disclosed
US-8383608-B2 Imidazolidine compounds as androgen receptor modulators DART THERAPEUTICS LLC 2013-02-26 — — US disclosed
US-20120178718-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AKASHI THERAPEUTICS, INC. 2012-07-12 — — US disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 — — WO disclosed
CN-102149687-A Novel imidazolidine compounds as androgen receptor modulators GALAPAGOS NV 2011-08-10 — — CN disclosed
EP-2344460-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Galapagos N.V. (BE) 2011-07-20 — — EP disclosed
US-7968581-B2 Imidazolidine compounds as androgen receptor modulators GALAPAGOS NV (BE) 2011-06-28 — — US disclosed
US-20100113547-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AKASHI THERAPEUTICS, INC. 2010-05-06 — — US disclosed
WO-2010029119-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS GALAPAGOS NV (BE) 2010-03-18 — — 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 (5 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-20120178718-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, GNRHR GSK3B 2141/4885CA2 4293/4885CA1 4697/4885
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 GSK3B 614/4885CA2 3783/4885CA1 4648/4885
US-10085450-B2 Tetrazolinone compound and use thereof ROS1, TCOF1, RPS20 GSK3B 2556/4885CA2 1403/4885CA1 2546/4885
US-20100113547-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, GNRHR GSK3B 2317/4885CA2 4067/4885CA1 4495/4885
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF ROS1, TCOF1, RPS20 GSK3B 2556/4885CA2 1403/4885CA1 2546/4885

“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.