SCHEMBL2997901

SCHEMBL2997901

Cc1cnc2c(S(=O)(=O)O)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
PARP1 P09874 2/20 0.55
PSMD14 O00487 1/20 0.54
COPS5 Q92905 1/20 0.54
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
SLC40A1 Q9NP59 6/20 0.51
SLC16A3 O15427 1/20 0.45
CYP1A2 P05177 1/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 1/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 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
Hydrochloric Acid SCHEMBL27862604 0.98 KDM4E (0.57) KDM4EPARP1PSMD14COPS5CCR1
SCHEMBL1161161 0.84 KDM4E (0.54) KDM4EPARP1PSMD14COPS5CCR1
SCHEMBL29242644 0.82 GAA (0.41) KDM4EPSMD14COPS5CYP1A2MAPT
SCHEMBL29087055 0.81 KDM4E (0.51) KDM4EPARP1PSMD14COPS5CCR1
SCHEMBL29084271 0.81 MEN1 (0.40) KDM4EPSMD14COPS5CYP1A2MAPT
SCHEMBL9084124 0.78 PSMD14 (0.64) PSMD14COPS5HTT
SCHEMBL29087025 0.78 KDM4E (0.48) KDM4EPARP1PSMD14COPS5CCR1
SCHEMBL17773847 0.75 CCR1 (0.63) KDM4EPARP1PSMD14COPS5CCR1
SCHEMBL9355371 0.75 PARP1 (0.74) KDM4EPARP1PSMD14COPS5CCR1
SCHEMBL11161309 0.74 TTR (0.45) KDM4ECYP1A2MAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114574062-B Preparation method of emulsion for water-based paint 熊海如 2023-08-29 CN claimed
CN-114479583-B Preparation method of coating composition 厦门纬达树脂有限公司 2023-01-20 CN claimed
CN-114410171-B Water-based paint 鹤山市信兴化工有限公司 2022-12-06 CN claimed
CN-114574062-A Preparation method of modified fluorine-containing polyacrylate coating 熊海如 2022-06-03 CN claimed
CN-114479583-A Preparation method of coating composition 熊海如 2022-05-13 CN claimed
CN-114410171-A Water-based paint 熊海如 2022-04-29 CN claimed
CN-110872252-A Preparation method of 3-methylquinoline-8-sulfonyl chloride 北京成宇化工有限公司 2020-03-10 CN claimed
CN-101454289-B Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR 2012-07-04 CN claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP claimed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US claimed
EP-2079701-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-22 EP claimed
CN-101454289-A Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR (ES) 2009-06-10 CN claimed
EP-2007729-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-31 EP claimed
WO-2008043544-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-04-17 WO claimed
EP-1911747-A1 Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP claimed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 WO claimed
CN-120992790-A Detection method of potential mutation-causing impurities in Argatroban injection 康普药业股份有限公司 2025-11-21 CN disclosed
CN-118191163-A Determination method of genotoxic impurities in Argatroban raw material 北京悦康科创医药科技股份有限公司 2024-06-14 CN disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed
US-5453430-A Anticoagulants SYNTHELABO (FR) 1995-09-26 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 (1 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-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 KDM4E 3367/4885PARP1 1541/4885PSMD14 2928/4885

“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.