Sugi Predict

Sugi Predict / Compounds / SCHEMBL2656535

SCHEMBL2656535

SCHEMBL2656535

O=C(O)C(=O)c1ccc(S(=O)(=O)C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPT1B Q92523 1/20 0.45
▸ HTR2A P28223 3/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ AKR1C3 P42330 2/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ ELOVL6 Q9H5J4 1/20 0.39
▸ GCK P35557 5/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ MMP13 P45452 1/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37

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
SCHEMBL2594743 0.85 CA1 (0.53) HTR2AKCNH2HTR2CAKR1C3CA2
SCHEMBL13696010 0.82 HTR2A (0.41) HTR2AKCNH2HTR2CAKR1C3DRD2
SCHEMBL13442755 0.82 HTR2A (0.44) HTR2AKCNH2HTR2CAKR1C3DRD2
SCHEMBL2666646 0.80 MMP13 (0.43) HTR2AKCNH2HTR2CGCKCCR6
SCHEMBL3714450 0.78 KMT2A (0.53) AKR1C3CA2CA12CA1CA3
SCHEMBL184966 0.76 ALDH1A1 (0.44) MMP13
SCHEMBL16799843 0.75 CPT1B (0.42) CPT1BCA2
SCHEMBL22638680 0.75 CA1 (0.54) CA2CA12CA1CYP2C19CA7
SCHEMBL25120327 0.75 GCK (0.41) HTR2AKCNH2HTR2CAKR1C3DRD2
SCHEMBL4257392 0.75 AKR1C3 (0.39) HTR2AKCNH2HTR2CAKR1C3GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183206-A1 3,4-DIHYDROISOQUINOLINE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2023-06-15 — — US disclosed
US-20230183206-A1 3,4-DIHYDROISOQUINOLINE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2023-06-15 — — US disclosed
EP-4155301-A1 3,4-DIHYDROISOQUINOLINE COMPOUND AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-03-29 — — EP disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 — — US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 — — US disclosed
US-20100099662-A1 HYDRAZONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-22 — — US disclosed
US-20100099662-A1 HYDRAZONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-22 — — US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 — — EP disclosed
EP-2105435-A1 HYDRAZONE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2009-09-30 — — EP disclosed
US-20090221824-A1 ENANTIOSELECTIVE PROCESS PROSIDION LIMITED (GB) 2009-09-03 — — US disclosed
US-20090005391-A1 Tricyclo Substituted Amides PROSIDION LIMITED (GB) 2009-01-01 — — US disclosed
EP-1948644-A1 TRICYCLO SUBSTITUTED AMIDES Prosidion Limited (GB) 2008-07-30 — — EP disclosed
US-20080015358-A1 Fluorination Process of Protected Aminothiazole PROSIDION LIMITED (GB) 2008-01-17 — — US disclosed
WO-2007051845-A1 TRICYCLO SUBSTITUTED AMIDES PROSIDION LTD (GB) 2007-05-10 — — WO disclosed
EP-1778678-A1 ENANTIOSELECTIVE PROCESS Prosidion Limited (GB) 2007-05-02 — — EP disclosed
EP-1778657-A1 FLUORINATION PROCESS OF PROTECTED AMINOTHIAZOLE Prosidion Ltd. (GB) 2007-05-02 — — EP disclosed
WO-2006016174-A1 FLUORINATION PROCESS OF PROTECTED AMINOTHIAZOLE PROSIDION LIMITED (GB) 2006-02-16 — — WO disclosed
WO-2006016178-A1 ENANTIOSELECTIVE PROCESS PROSIDION LIMITED (GB) 2006-02-16 — — 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 (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-20090005391-A1 Tricyclo Substituted Amides GPR119, SLC5A2, SLC5A1 CPT1B 166/4885HTR2A 3754/4885KCNH2 1138/4885
US-20230183206-A1 3,4-DIHYDROISOQUINOLINE COMPOUND AND USE THEREOF PRMT5, PRMT3, PRMT1 CPT1B 1591/4885HTR2A 4613/4885KCNH2 3321/4885
US-20080015358-A1 Fluorination Process of Protected Aminothiazole GCK, KHK, GCKR CPT1B 527/4885HTR2A 2757/4885KCNH2 659/4885
US-20090221824-A1 ENANTIOSELECTIVE PROCESS ADH1A, ALAD, ADH5 CPT1B 3996/4885HTR2A 469/4885KCNH2 4005/4885
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 CPT1B 962/4885HTR2A 3586/4885KCNH2 994/4885
US-20100099662-A1 HYDRAZONE DERIVATIVE GCK, GCKR, HK1 CPT1B 1012/4885HTR2A 2029/4885KCNH2 206/4885

“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.