SCHEMBL6428044

SCHEMBL6428044

CCc1c(-c2ccccc2)cccc1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.41
CA2 P00918 11/20 0.41
CA9 Q16790 9/20 0.41
CA12 O43570 6/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CYP2C9 P11712 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
STAT3 P40763 1/20 0.39
SCN9A Q15858 2/20 0.39
MAOB P27338 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
SCHEMBL6111191 0.82 CA2 (0.46) CA1CA2CA9CA12CA4
SCHEMBL3853245 0.82 CA1 (0.46) CA1CA2CA9CA12CA4
SCHEMBL6700698 0.80 EDNRA (0.39) CA1CA2CA9CA12STAT3
SCHEMBL48885 0.78 CA2 (0.52) CA1CA2CA9CA12CA4
SCHEMBL9806251 0.78 PDCD1 (0.47) PTGS2
SCHEMBL2896796 0.77 LRRK2 (0.51) CA1CA2CA9CA12CA4
SCHEMBL6111776 0.77 SCN9A (0.42) CA1CA2CA9CA12CA4
SCHEMBL2170005 0.77 CA2 (0.42) CA1CA2CA9CA12CA4
Hydrochloric Acid SCHEMBL6399557 0.76 CA2 (0.50) CA1CA2CA9CA12CA4
Methane SCHEMBL27503773 0.76 CA2 (0.50) CA1CA2CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025001-A Gamma secretase modulators for the treatment of immune system dysfunction 安可初克公司 2018-05-11 CN claimed
US-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2018-07-17 US disclosed
CN-108025001-A Gamma secretase modulators for the treatment of immune system dysfunction 安可初克公司 2018-05-11 CN disclosed
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2017-03-16 US disclosed
US-9518052-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2016-12-13 US disclosed
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. 2015-11-19 US disclosed
CN-104869987-A Methods and compositions for regenerating hair cells and/or supporting cells MASSACHUSETTS EYE & EAR INFIRM 2015-08-26 CN disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 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 (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-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines CBR3, HRH4, REN CA1 2503/4885CA2 358/4885CA9 1800/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 CA1 2724/4885CA2 361/4885CA9 1782/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 CA1 2724/4885CA2 361/4885CA9 1782/4885

“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.