SCHEMBL9734767

SCHEMBL9734767

Cc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
MCOLN3 Q8TDD5 1/20 0.54
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NFKBIA P25963 2/20 0.46
RELA Q04206 2/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
VCAM1 P19320 1/20 0.45
KAT2B Q92831 2/20 0.44
GPR35 Q9HC97 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL28778586 0.86 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL10619019 0.84 TSHR (0.60) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL4067424 0.84 TSHR (0.60) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL10515856 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL137704 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL27988824 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL4807396 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL11119285 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
Potassium Ion SCHEMBL10515756 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL15356391 0.81 TSHR (0.56) TSHRCYP3A4MCOLN3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825611-B 4(1H) -quinovone derivatives and uses thereof 刘扶东 2022-09-09 CN disclosed
CN-114945572-A HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 刘扶东 2022-08-26 CN disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
WO-2016044771-A1 HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2015-03-19 US disclosed
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-4990523-A Treatment of chronic inflammatory joint disease with arylsulfonamides A. H. ROBINS COMPANY, INCORPORATED (US) 1991-02-05 US disclosed
WO-1990015600-A2 TREATMENT OF CHRONIC INFLAMMATORY JOINT DISEASE WITH ARYLSULFONAMIDES A.H. ROBINS COMPANY, INCORPORATED (US) 1990-12-27 WO disclosed
EP-0345550-A2 High molecular weight arylene sulphide polymers BAYER AG (DE) 1989-12-13 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 (1 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-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SLC10A1, HAVCR2, UGT1A3 TSHR 4285/4885CYP3A4 52/4885MCOLN3 3376/4885

“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.