SCHEMBL367652

SCHEMBL367652

Cc1ccc(SS(=O)(=O)O)cc1.[KH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.57
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HPGD P15428 3/20 0.53
CYP2C9 P11712 2/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.41
MAPT P10636 5/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
HKDC1 Q2TB90 1/20 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
SCHEMBL1679677 0.98 DNMT1 (0.59) DNMT1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6551466 0.95 DNMT1 (0.57) DNMT1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3818647 0.95 DNMT1 (0.57) DNMT1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8705730 0.85 ALDH1A1 (0.59) DNMT1ALDH1A1KMT2AMEN1L3MBTL1
P-Xylene SCHEMBL28218862 0.77 GAA (0.55) DNMT1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL11331028 0.76 SMN1; SMN2 (0.50) ALDH1A1KMT2AMEN1L3MBTL1HPGD
SCHEMBL29009430 0.74 CYP2C9 (0.50) ALDH1A1KMT2AMEN1L3MBTL1HPGD
SCHEMBL3240261 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1L3MBTL1HPGD
SCHEMBL28785463 0.74 ALDH1A1 (0.41) DNMT1ALDH1A1KMT2AMEN1L3MBTL1
P-Xylene SCHEMBL27791681 0.74 GAA (0.58) DNMT1ALDH1A1KMT2AMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
EP-3458470-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2019-03-27 EP disclosed
US-10077241-B2 Tetrahydro-benzoimidazolyl modulators of TGR5 JANSEN PHARMACEUTICA NV (BE) 2018-09-18 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 US disclosed
US-9573978-B2 Cyclosporin derivatives for the treatment and prevention of a viral infection S&T GLOBAL, INC. (US) 2017-02-21 US disclosed
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2016-02-25 US disclosed
US-9217015-B2 Cyclosporin derivatives for the treatment and prevention of a viral infection S&T GLOBAL INC. (US) 2015-12-22 US disclosed
US-6306863-B1 TREATMENT OF ASTHMA WITH CAMPOUNDS ASTRAZENECA AB (SE) 2001-10-23 US disclosed
US-6229013-B1 PRODUCED BY HYDROGENATION AND DEHALOGENATION IN THE PRESENCE OF A CATALYST; ANTIINFLAMMATORY AGENTS, IMMUNOSUPRESSANTS, ANTIPROLIFERATIVE AGENTS, ANTICARCINOGENIC AGENTS, AND TREATMENT OF RHEUMATIC DISEASE ASTRAZENECA UK LIMITED (GB) 2001-05-08 US disclosed
US-6211368-B1 HYDROLYSIS OF CORRESPONDING ESTER ASTRAZENECA UK LIMITED (GB) 2001-04-03 US disclosed
US-6180635-B1 NOVEL THIENO(2,3-D)PYRIMIDINEDIONES WHICH EXHIBIT PHARMACOLOGICAL ACTIVITY, IN PARTICULAR IMMUNOSUPPRESSIVE ACTIVITY; TREATING ALLOGRAFT REJECTION ASTRAZENECA UK LIMITED (GB) 2001-01-30 US disclosed
US-6166206-A Pyrrolo[3,4-D]Pyrimidinone derivatives and their use as medicaments ASTRAZENECA UK LIMITED (GB) 2000-12-26 US disclosed
US-6046204-A Pyrrolo[3,4-D] pyrimidinone derivatives and their use as medicaments ASTRA PHARMACEUTICALS LIMITED (GB) 2000-04-04 US disclosed
US-6028074-A FOR TREATING ALLOGRAFT REJECTION ASTRA PHARMACEUTICALS, LTD. (GB) 2000-02-22 US disclosed
EP-0495253-B1 Method for the photographic production of silver images AGFA GEVAERT NV (BE) 1995-05-10 EP disclosed
US-5266442-A Method for increasing the contrast of photographic silver images AGFA-GEVAERT N.V. (BE) 1993-11-30 US disclosed
EP-0495253-A1 Method for the photographic production of silver images AGFA-GEVAERT N.V. (BE) 1992-07-22 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 (5 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-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS DNMT1 3143/4885ALDH1A1 3167/4885KMT2A 4220/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B DNMT1 2069/4885ALDH1A1 2805/4885KMT2A 4599/4885
US-10077241-B2 Tetrahydro-benzoimidazolyl modulators of TGR5 GLRA1, GRM5, TRHR DNMT1 3128/4885ALDH1A1 2911/4885KMT2A 1976/4885
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 GLRA1, GRM5, TRHR DNMT1 3128/4885ALDH1A1 2911/4885KMT2A 1976/4885
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 DNMT1 3242/4885ALDH1A1 3272/4885KMT2A 4455/4885

“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.