SCHEMBL6553558

SCHEMBL6553558

O=S1(=O)N=C(NC2CCC2)Nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 3/20 0.37
KCNJ11 Q14654 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
HTR5A P47898 1/20 0.36
MAPT P10636 1/20 0.34
RIPK1 Q13546 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
KMT5B Q4FZB7 1/20 0.32
KMT5C Q86Y97 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL719274 0.94 CYP3A4 (0.38) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6
SCHEMBL4260980 0.90 ABCC8 (0.34) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6
SCHEMBL6555285 0.87 ABCC8 (0.53) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6
SCHEMBL717798 0.86 ABCC8 (0.52) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6
SCHEMBL6553120 0.85 ABCC8 (0.48) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6
SCHEMBL24050507 0.84 ABCC8 (0.53) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6
SCHEMBL24050255 0.83 ABCC8 (0.45) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6
SCHEMBL718487 0.81 ABCC8 (0.56) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6
SCHEMBL718174 0.80 ABCC8 (0.44) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6
SCHEMBL7954322 0.79 CA12 (0.43) ABCC8KCNJ11ALDH1A1CYP3A4CYP2D6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906297-B1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE UNIV LIEGE (BE) 2004-02-25 EP claimed
US-6242443-B1 1,2,4-benzothiadiazine derivatives, their preparation and use NOVO NORDISK AIS (DK) 2001-06-05 US claimed
US-11505572-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2022-11-22 US disclosed
US-10981951-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-04-20 US disclosed
US-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-02-11 US disclosed
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2017-01-05 US disclosed
EP-0906297-B1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE UNIV LIEGE (BE) 2004-02-25 EP disclosed
US-6242443-B1 1,2,4-benzothiadiazine derivatives, their preparation and use NOVO NORDISK AIS (DK) 2001-06-05 US disclosed
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO 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 (4 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-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 ABCC8 62/4885KCNJ11 3/4885ALDH1A1 943/4885
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNK4, KCNK2 ABCC8 67/4885KCNJ11 4/4885ALDH1A1 1014/4885
US-11505572-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 ABCC8 62/4885KCNJ11 3/4885ALDH1A1 943/4885
US-10981951-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 ABCC8 62/4885KCNJ11 3/4885ALDH1A1 943/4885

“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.