SCHEMBL4573383

SCHEMBL4573383

O=S(=O)(NCc1cc[c]cc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.76
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
CA12 O43570 3/20 0.63
CA9 Q16790 2/20 0.63
CA2 P00918 2/20 0.63
CA1 P00915 1/20 0.63
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 4/20 0.55
CYP19A1 P11511 1/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CXCR4 P61073 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
GBA1 P04062 1/20 0.50
PRMT1 Q99873 1/20 0.50

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
SCHEMBL6283786 0.93 KEAP1 (0.76) KEAP1LMNASMN1; SMN2CA12CA9
SCHEMBL407414 0.87 KEAP1 (1.00) KEAP1LMNASMN1; SMN2CA12CA9
Hydrochloric Acid SCHEMBL3516799 0.85 KEAP1 (0.96) KEAP1LMNASMN1; SMN2CA12CA9
SCHEMBL5187812 0.83 TDP1 (0.67) LMNASMN1; SMN2CA2CA1ALDH1A1
SCHEMBL18109243 0.83 KEAP1 (0.71) KEAP1LMNASMN1; SMN2CA12CA9
SCHEMBL27426675 0.80 KEAP1 (0.66) KEAP1LMNASMN1; SMN2CA12CA9
SCHEMBL4664435 0.79 KEAP1 (0.76) KEAP1LMNASMN1; SMN2CA12CA9
SCHEMBL4662819 0.79 CA12 (0.87) KEAP1LMNASMN1; SMN2CA12CA9
SCHEMBL4662893 0.79 SMN1; SMN2 (1.00) KEAP1LMNASMN1; SMN2CA12CA9
SCHEMBL4663044 0.79 KEAP1 (0.76) KEAP1LMNASMN1; SMN2CA12CA9

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
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20220396551-A1 EBNA1 Inhibitors and Their Method of Use WISTAR INST (US) 2022-12-15 US disclosed
EP-3068758-B1 EBNA1 INHIBITORS AND THEIR METHOD OF USE WISTAR INST (US) 2021-09-08 EP disclosed
US-9856214-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2018-01-02 US disclosed
US-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-06 US disclosed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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 (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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ KEAP1 1732/4885LMNA 3515/4885SMN1; SMN2 4487/4885
US-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE MCM5, EBNA1BP2, MLLT1 KEAP1 699/4885LMNA 560/4885SMN1; SMN2 2217/4885
US-20220396551-A1 EBNA1 Inhibitors and Their Method of Use EBNA1BP2, MLLT1, PML KEAP1 407/4885LMNA 649/4885SMN1; SMN2 3182/4885

“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.