Caldaret

Caldaret

SCHEMBL1650574

Cc1ccc(N2CCNCC2)c(S(=O)(=O)O)c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HTR3A P46098 14/20 0.49
HTR1A P08908 13/20 0.49
HTR6 P50406 4/20 0.46
ADRB1 P08588 5/20 0.45
CYP1A2 P05177 2/20 0.44
ADRB2 P07550 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
HRH2 P25021 2/20 0.44
HTR1B P28222 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTR7 P34969 2/20 0.44
HRH1 P35367 2/20 0.44
HTR5A P47898 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
Caldaret SCHEMBL3139412 0.98 ALDH1A1 (0.51) ALDH1A1HTR3AHTR1AHTR6ADRB1
Caldaret SCHEMBL3135751 0.98 ALDH1A1 (0.51) ALDH1A1HTR3AHTR1AHTR6ADRB1
Caldaret SCHEMBL2853338 0.98 ALDH1A1 (0.51) ALDH1A1HTR3AHTR1AHTR6ADRB1
Caldaret SCHEMBL29711318 0.98 ALDH1A1 (0.51) ALDH1A1HTR3AHTR1AHTR6ADRB1
Caldaret SCHEMBL3139464 0.91 ALDH1A1 (0.45) ALDH1A1HTR3AHTR1AHTR6ADRB1
SCHEMBL8636364 0.88 HTR1A (0.49) ALDH1A1HTR3AHTR1AHTR6ADRB1
SCHEMBL22542102 0.86 ALDH1A1 (0.54) ALDH1A1HTR3AHTR1AHTR6ADRB1
Caldaret SCHEMBL3139404 0.85 ALDH1A1 (0.52) ALDH1A1HTR3AHTR1AHTR6ADRB1
SCHEMBL4725678 0.84 ALDH1A1 (0.51) ALDH1A1HTR3AHTR1AHTR6ADRB1
SCHEMBL2852302 0.82 USP2 (0.54) HTR3AHTR1AHTR6ADRB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260007657-A1 PHARMACEUTICAL COMPOSITION FOR KERATOSIS AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2026-01-08 US claimed
WO-2025111482-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS AT LOW STOICHIOMETRIC RATIOS BEXSON BIOMEDICAL, INC. (US) 2025-05-30 WO claimed
US-7652017-B2 Remedies and/or preventives for nervous system disorders MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-01-26 US claimed
EP-1062948-B1 REMEDIES FOR NON CARDIOGENIC DIASTOLIC DYSFUNCTION MITSUBISHI CHEM CORP (JP) 2010-01-06 EP claimed
US-20090318461-A1 CRYSTALLINE POLYMORPHISM OF 5-METHYL-2-(PIPERAZIN-1-YL) BENZENESULFONIC ACID MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-24 US claimed
CN-100502861-C Medicament inhibiting sodium/calcium exchange system MITSUBISHI PHARMA CORP (JP) 2009-06-24 CN claimed
CN-100496495-C Remedies and/or preventives for diabetic ischemic heart diseases MITSUBISHI PHARMA CORP (JP) 2009-06-10 CN claimed
CN-100486574-C Remedies and/or preventives for nervous system disorders MITSUBISHI PHARMACEUTICALS INC (JP) 2009-05-13 CN claimed
EP-2050741-A1 CRYSTALLINE POLYMORPHISM OF 5-METHYL-2-(PIPERAZIN-1-YL)BENZENESULFONIC ACID Mitsubishi Tanabe Pharma Corporation (JP) 2009-04-22 EP claimed
EP-2048138-A1 SALT OR SOLVATE OF 5-METHYL-2-(PIPERAZIN-1-YL)BENZENESULFONIC ACID Mitsubishi Tanabe Pharma Corporation (JP) 2009-04-15 EP claimed
US-6407113-B1 2-(1-PIPERAZINYL)-5-METHYLBENZENESULFONIC ACID DERIVATIVE OR ITS SALT, OR HYDRATE OR SOLVATE; IMPROVE ABNORMAL INTRACELLULAR HANDLING CALCIUM ION MITSUBISHI CHEMICAL CORPORATION (JP) 2002-06-18 US claimed
US-20020028822-A1 Medicament for treatment of diastolic dysfunction KAWASUMI HISASHI (JP) 2002-03-07 US claimed
US-6245767-B1 CARDIOVASCUALR DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-06-12 US claimed
EP-1062948-A1 REMEDIES FOR CARDIAC DILASTOLIC DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-12-27 EP claimed
EP-0779283-B1 Monohydrates of aminobenzenesulfonic acid derivatives and method for preparation thereof MITSUBISHI CHEM CORP (JP) 2000-03-01 EP claimed
US-5990113-A MONOHYDRATE OF 2-(1-PIPERAZINYL)-5-METHYLBENZENESULFONIC ACID, FREE OF ANHYDROUS CRYSTALS; FREE FROM WEIGHT CHANGE DUE TO MOISTURE ABSORPTION AND CAN BE WEIGHED ACCURATELY IN MANUFACTURING A PHARMACEUTICAL COMPOSITION FOR HEART DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-11-23 US claimed
EP-0779283-A1 Monohydrates of aminobenzenesulfonic acid derivatives and method for preparation thereof MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-18 EP claimed
EP-0390654-B1 Aminobenzenesulfonic acid derivative MITSUBISHI CHEM IND (JP) 1994-11-09 EP claimed
US-5053409-A Calcium chanel blockers, antiischemic agent MITSUBISHI KASEI CORPORATION (JP) 1991-10-01 US claimed
EP-0390654-A1 Aminobenzenesulfonic acid derivative Mitsubishi Chemical Corporation (JP) 1990-10-03 EP 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 (3 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-20260007657-A1 PHARMACEUTICAL COMPOSITION FOR KERATOSIS AND USE THEREOF KRT18, PRKDC, DPM1 ALDH1A1 686/4885HTR3A 3416/4885HTR1A 3791/4885
US-20090318461-A1 CRYSTALLINE POLYMORPHISM OF 5-METHYL-2-(PIPERAZIN-1-YL) BENZENESULFONIC ACID KDM5C, KDM5A, NT5C3B ALDH1A1 875/4885HTR3A 303/4885HTR1A 958/4885
US-20020028822-A1 Medicament for treatment of diastolic dysfunction TNNI3, TNNT2, FABP3 ALDH1A1 2695/4885HTR3A 1280/4885HTR1A 1128/4885

“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.