SCHEMBL7951063

SCHEMBL7951063

CC(C)C(C)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.44
HTT P42858 2/20 0.41
PTGS2 P35354 1/20 0.41
PTGES O14684 7/20 0.40
CXCR1 P25024 3/20 0.39
CXCR2 P25025 3/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL7952008 0.90 ALOX5 (0.46) ALOX5HTTPTGS2PTGESCXCR1
SCHEMBL7952052 0.86 HTT (0.45) ALOX5HTTPTGS2PTGESCXCR1
SCHEMBL7952788 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2ABCC8KCNJ11LMNA
SCHEMBL7952856 0.80 CA12 (0.40) HTTCXCR2ALDH1A1SMN1; SMN2ABCC8
SCHEMBL7951020 0.80 CA12 (0.40) CXCR1CXCR2ALDH1A1SMN1; SMN2ABCC8
SCHEMBL718758 0.80 ABCC8 (0.58) CXCR2ALDH1A1SMN1; SMN2KDM4EABCC8
SCHEMBL7952181 0.79 ABCC8 (0.43) ALOX5HTTPTGESCXCR1CXCR2
SCHEMBL7944166 0.79 HTT (0.46) ALOX5HTTPTGS2PTGESCXCR1
SCHEMBL15884037 0.77 ALDH1A1 (0.60) ALOX5HTTPTGESALDH1A1SMN1; SMN2
SCHEMBL7944221 0.75 ABCC8 (0.52) ALOX5HTTPTGESCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209140-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-01-28 US disclosed
US-20230101009-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-03-30 US disclosed
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
US-6242443-B1 1,2,4-benzothiadiazine derivatives, their preparation and use NOVO NORDISK AIS (DK) 2001-06-05 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 (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-20230101009-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 ALOX5 1171/4885HTT 2552/4885PTGS2 163/4885
US-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 ALOX5 1171/4885HTT 2552/4885PTGS2 163/4885
US-12209140-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 ALOX5 1171/4885HTT 2552/4885PTGS2 163/4885
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNK4, KCNK2 ALOX5 1258/4885HTT 2459/4885PTGS2 234/4885
US-11505572-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 ALOX5 1171/4885HTT 2552/4885PTGS2 163/4885
US-10981951-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 ALOX5 1171/4885HTT 2552/4885PTGS2 163/4885

“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.