SCHEMBL3196146

SCHEMBL3196146

O=Cc1ccccc1SSc1ccccc1C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
LMNA P02545 2/20 0.60
THRB P10828 1/20 0.60
BLM P54132 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 4/20 0.48
TRIM24 O15164 2/20 0.48
TRIM33 Q9UPN9 2/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APOBEC3G Q9HC16 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
ERN1 O75460 2/20 0.39
POLB P06746 1/20 0.39
CYP2A6 P11509 3/20 0.38

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
Formamide SCHEMBL28787193 0.93 KMT2A (0.52) KMT2AMEN1LMNATHRBBLM
Isopropylamine SCHEMBL28787289 0.87 LMNA (0.46) KMT2AMEN1LMNATHRBBLM
SCHEMBL28787272 0.85 KMT2A (0.44) KMT2AMEN1LMNATHRBBLM
SCHEMBL28787218 0.82 KMT2A (0.41) KMT2AMEN1LMNATHRBBLM
SCHEMBL31192608 0.82 POLB (0.71) KMT2AMEN1LMNATHRBBLM
Cyclopentanamine SCHEMBL28944901 0.81 KMT2A (0.40) KMT2AMEN1LMNATHRBBLM
SCHEMBL9732046 0.80 LMNA (0.55) KMT2AMEN1LMNATHRBBLM
SCHEMBL173014 0.80 LMNA (0.55) KMT2AMEN1LMNATHRBBLM
SCHEMBL18627019 0.80 LMNA (0.55) KMT2AMEN1LMNATHRBBLM
SCHEMBL13893056 0.80 LMNA (0.55) KMT2AMEN1LMNATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874835-A1 METHOD OF MAKING (S-(R*,R*))-3-METHYL-2-(3-OXO-3H-BENZO(D)ISOTHIAZOL-2-YL)PENTANOIC ACID AND (S-(R*,R*)), L-2-(2-(2-(1-CARBOXY-2-METHYLBUTYLCARBAMOYL)PHENYLDISULFONYL)BENZOYL-AMINO)-3-METHYLPENTANOIC ACID WARNER-LAMBERT COMPANY (US) 1998-11-04 EP claimed
WO-1997022598-A1 METHOD OF MAKING (S-(R*,R*))-3-METHYL-2-(3-OXO-3H-BENZO(D)ISOTHIAZOL-2-YL)PENTANOIC ACID AND (S-(R*,R*)), L-2-(2-(2-(1-CARBOXY-2-METHYLBUTYLCARBAMOYL)PHENYLDISULFONYL)BENZOYL-AMINO)-3-METHYLPENTANOIC ACID WARNER-LAMBERT COMPANY (US) 1997-06-26 WO claimed
US-5169961-A Process for the production of 2-acetylbenzo [β]thiophenes ABBOTT LABORATORIES (US) 1992-12-08 US claimed
US-20230114304-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 US disclosed
US-11612598-B2 Compounds and methods for the treatment of cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-03-28 US disclosed
CN-114478333-A Synthetic method and application of 2, 2' -dithio-dibenzoyl formamide 宜春新龙智慧高科有限公司 2022-05-13 CN disclosed
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-07-01 US disclosed
WO-2021030703-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-18 WO disclosed
US-20190201394-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-07-04 US disclosed
US-10166229-B2 Compounds and methods for the treatment of cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-01-01 US disclosed
US-20180296507-A1 REDOX-ACTIVATED GLYCOCONJUGATED PROCHELATORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2018-10-18 US disclosed
US-5773433-A ANXIOLYTICS AND ANTIDEPRESSANTS JANSSEN PHARMACEUTICA, N.V. (BE) 1998-06-30 US disclosed
EP-0789702-A1 SUBSTITUTED TETRACYCLIC OXAZEPINE AND THIAZEPINE DERIVATIVES WITH 5-HT2 RECEPTOR AFFINITY JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-20 EP disclosed
EP-0775110-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-05-28 EP disclosed
WO-1996014321-A1 SUBSTITUTED TETRACYCLIC OXAZEPINE AND THIAZEPINE DERIVATIVES WITH 5-HT2 RECEPTOR AFFINITY JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-17 WO disclosed
WO-1996004242-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-15 WO disclosed
US-5238997-A Increased modulus without detrimental effect on age resistance and hysteresis THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-08-24 US disclosed
US-5169961-A Process for the production of 2-acetylbenzo [β]thiophenes ABBOTT LABORATORIES (US) 1992-12-08 US disclosed
US-5169961-A Process for the production of 2-acetylbenzo [β]thiophenes ABBOTT LABORATORIES (US) 1992-12-08 US disclosed
EP-0173320-A1 Substituted carbonylphenylsulfonyl guanidines BAYER AG (DE) 1986-03-05 EP 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-10166229-B2 Compounds and methods for the treatment of cancer CASP3, CASP6, CASP5 KMT2A 1515/4885MEN1 3608/4885LMNA 337/4885
US-20190201394-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER CASP3, BAX, CASP6 KMT2A 3132/4885MEN1 3135/4885LMNA 282/4885
US-11612598-B2 Compounds and methods for the treatment of cancer CASP3, BAX, CASP6 KMT2A 3132/4885MEN1 3135/4885LMNA 282/4885
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) SLC2A1, SLC2A3, SLC2A4 KMT2A 3344/4885MEN1 913/4885LMNA 4641/4885
US-20180296507-A1 REDOX-ACTIVATED GLYCOCONJUGATED PROCHELATORS SLC2A1, SLC2A2, SLC2A4 KMT2A 3982/4885MEN1 2111/4885LMNA 3009/4885
US-20230114304-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF LIPA, LCAT, SGMS2 KMT2A 3348/4885MEN1 1805/4885LMNA 1278/4885

“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.