Sugi Predict

Sugi Predict / Compounds / SCHEMBL29338

SCHEMBL29338

SCHEMBL29338

[O]S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.65
▸ CA2 P00918 1/20 0.65
▸ CA9 Q16790 1/20 0.65
▸ F2 P00734 3/20 0.58
▸ PRSS1 P07477 3/20 0.58
▸ PRSS2 P07478 3/20 0.58
▸ PRSS3 P35030 3/20 0.58
▸ HTR6 P50406 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HCRTR1 O43613 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ SCN1A P35498 2/20 0.45
▸ SCN2A Q99250 2/20 0.45
▸ SCN3A Q9NY46 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL660150 0.87 HPRT1 (0.56) CA1CA2CA9F2PRSS1
SCHEMBL547461 0.83 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL3071825 0.83 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL29965319 0.83 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL7323070 0.83 CA1 (0.52) CA1CA2CA9F2PRSS1
SCHEMBL7175789 0.81 CA1 (0.65) CA1CA2CA9F2PRSS1
SCHEMBL660554 0.80 ALDH1A1 (0.44) CA1CA2CA9F2PRSS1
SCHEMBL9639738 0.79 CA1 (0.63) CA1CA2CA9F2PRSS1
SCHEMBL3239658 0.79 CA1 (0.63) CA1CA2CA9F2PRSS1
SCHEMBL11715910 0.79 CA1 (0.63) CA1CA2CA9F2PRSS1

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 1602 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891465-A N-substituted quinolinone compounds, preparation method and application thereof 苏州旺山旺水生物医药有限公司 2023-10-17 — — CN claimed
CN-116854624-A Process for producing optically active pyrrolidine compound 田边三菱制药株式会社 2023-10-10 — — CN claimed
WO-2023186023-A1 N-SUBSTITUTED QUINOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州旺山旺水生物医药股份有限公司 2023-10-05 — — WO claimed
CN-110234626-B Process for producing optically active pyrrolidine compound 田边三菱制药株式会社 2023-07-21 — — CN claimed
US-20220227773-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-07-21 — — US claimed
CN-112010859-B Fused ring compound, preparation method and application thereof 中国科学院上海药物研究所 2022-07-19 — — CN claimed
WO-2020239073-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2020-12-03 — — WO claimed
CN-112010859-A Fused ring compound, preparation method and application thereof 中国科学院上海药物研究所 2020-12-01 — — CN claimed
US-20200255421-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION TOPHARMAN SHANGHAI CO., LTD. (CN) 2020-08-13 — — US claimed
EP-3670511-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-06-24 — — EP claimed
WO-1998055448-A2 FLUOROALKENE CARBOXYLIC ACID DERIVATIVES, METHOD FOR PRODUCING SAID DERIVATIVES, AND INSECTICIDAL AGENTS CONTAINING THE SAME NOVARTIS AG (CH) 1998-12-10 — — WO claimed
EP-0326106-B1 Alkylene diamines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-07-27 — — EP claimed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 — — EP claimed
EP-0254158-B1 PYRIMIDIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-01-29 — — EP claimed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 — — US claimed
US-4851535-A 2-(5-FLUORONICOTINOYL)ACETIC ACID DERIVATIVES, ANTIBACTERIAL 1-ARYL-1,4-DIHYDRO-4-OXONAPHTHYRIDINES TOYAMA CHEMICAL CO., LTD. (JP) 1989-07-25 — — US claimed
US-4704459-A VILSMEIER REAGENT TOYAMA CHEMICAL CO., LTD. (JP) 1987-11-03 — — US claimed
EP-0100471-B1 ALPHA TOCOPHEROL PROCESS BASF Corporation (US) 1986-10-22 — — EP claimed
US-4120858-A HYPOTENSIVE, ARTERIOSCLEROSIS AGENTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1978-10-17 — — US claimed
US-4059611-A Oxidative process for the preparation of 2-(5H-dibenzo[a,d]cyclohepten-5-on-2-yl)acetic, propionic and butyric acid SYNTEX (U.S.A.) INC. (US) 1977-11-22 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200255421-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION NOTUM, BHMT, CYP4F11 CA1 2093/4885CA2 4460/4885CA9 4067/4885
US-20220227773-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SLC18A2, SLC6A3, SLC18A3 CA1 3998/4885CA2 4356/4885CA9 4810/4885

“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.