SCHEMBL146428

SCHEMBL146428

COc1cccc2cc(C)sc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NQO1 P15559 1/20 0.41
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NQO2 P16083 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 2/20 0.40
POLB P06746 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL19756667 0.80 CHRNA7 (0.41) CA2CHRNA7KDM4E
SCHEMBL4805151 0.80 CA2 (0.56) CA2CA12CA1CA4CA7
SCHEMBL16023584 0.78 CA2 (0.54) CA2CA12CA1CA4CA7
SCHEMBL5542286 0.78 CA2 (0.54) CA2CA12CA1CA4CA7
SCHEMBL4803731 0.78 CA2 (0.54) CA2CA12CA1CA4CA7
SCHEMBL147113 0.77 ALDH1A1 (0.39) CA2CA1CA7CA9ALDH1A1
SCHEMBL22132793 0.76 ACHE (0.45)
SCHEMBL19756636 0.76 CHRNA7 (0.40) CA2NQO1ALDH1A1NPC1MAPT
SCHEMBL19756652 0.76 ALDH1A1 (0.43) CA2NQO1LMNAALDH1A1NPC1
SCHEMBL3134724 0.76 MCL1 (0.40) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670513-B1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2023-09-20 EP disclosed
US-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors CSPC ZHONGQI PHARMACEUTICALL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-02-01 US disclosed
EP-2896397-B2 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-07 EP disclosed
EP-1651658-B2 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-08-12 EP disclosed
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-07-02 US disclosed
EP-3670513-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2020-06-24 EP disclosed
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
EP-2896397-B1 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2017-09-06 EP disclosed
US-20160108078-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-21 US disclosed
US-8222219-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-07-17 US disclosed
US-8222219-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-07-17 US disclosed
US-8202984-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-19 US disclosed
US-8202984-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-19 US disclosed
US-20120058941-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-08 US disclosed
US-20120058941-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-08 US disclosed
US-7943788-B2 Including the antidiabetic, antiobesity sodium glucose transport inhibitor Canagliflozin (1-( beta -D-glucopyranosyl)-4-methyl-3-[5-(4-fluorophenyl)-2-thienylmethyl]benzene) MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-17 US disclosed
US-7943788-B2 Including the antidiabetic, antiobesity sodium glucose transport inhibitor Canagliflozin (1-( beta -D-glucopyranosyl)-4-methyl-3-[5-(4-fluorophenyl)-2-thienylmethyl]benzene) MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-17 US disclosed
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-05 US disclosed
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-05 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 (6 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-20120058941-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CA2 2213/4885CA12 1329/4885CA1 2370/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CA2 2213/4885CA12 1329/4885CA1 2370/4885
US-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors FGFR1, FGFR2, FGFR4 CA2 1206/4885CA12 3132/4885CA1 3423/4885
US-20160108078-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 CA2 2213/4885CA12 1329/4885CA1 2370/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 CA2 1751/4885CA12 2429/4885CA1 507/4885
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF FGFR1, FGFR2, FGFR3 CA2 1324/4885CA12 2572/4885CA1 3998/4885

“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.