SCHEMBL566044

SCHEMBL566044

NS(=O)(=O)c1cccc2c1NCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.47
CA2 P00918 7/20 0.39
CA1 P00915 6/20 0.39
CA9 Q16790 5/20 0.39
MAPK1 P28482 1/20 0.39
CA6 P23280 3/20 0.38
CA12 O43570 3/20 0.38
CA4 P22748 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CYP2C9 P11712 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PDPK1 O15530 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
CDK2 P24941 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 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
SCHEMBL29469805 0.90 SRC (0.47) PNMTCA2CA1CA9MAPK1
SCHEMBL17458779 0.90 SRC (0.47) PNMTCA2CA1CA9MAPK1
SCHEMBL1760097 0.82 SRC (0.39) PNMTPDPK1PARP1PARP10PARP11
SCHEMBL17492502 0.82 PARP1 (0.38) PNMTPDPK1PARP1PARP10PARP11
SCHEMBL12049298 0.78 HTR2C (0.42) PNMTPDPK1PARP1PARP10PARP11
SCHEMBL26656329 0.76 PNMT (0.38) PNMTCA2CA1CA9CA12
SCHEMBL10350480 0.74 PNMT (0.60) PNMTCA2CA1CA9CA6
SCHEMBL30747497 0.73 F2 (0.44) F2
SCHEMBL525390 0.72 SRC (0.50) CA2CA1CA9CA12SRC
SCHEMBL7423714 0.72 SRC (0.47) PNMTCA2CA1CA9CA12

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
WO-2016025637-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME LOYOLA UNIVERSITY OF CHICAGO (US) 2016-02-18 WO disclosed
US-9174969-B2 Indoline scaffold SHP-2 inhibitors and cancer treatment method UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-03 US disclosed
US-8623906-B2 Carboxy isatin hydrazones and their esters as Shp2 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 US disclosed
US-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-09 US disclosed
US-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD UNIVERSITY OF SOUTH FLORIDA (US) 2011-08-04 US disclosed
WO-2010121212-A2 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER H. LEE MOFFIT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-10-21 WO disclosed
WO-2010011666-A2 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD UNIVERSITY OF SOUTH FLORIDA (US) 2010-01-28 WO disclosed
CN-101133034-A Substituted indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their preparation and use in medicaments ESTEVE LABOR DR (ES) 2008-02-27 CN disclosed
US-4772313-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-09-20 US disclosed
US-4683000-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMANY (US) 1987-07-28 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 (2 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-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER PTPN1, PTPN2, PTPN7 PNMT 1189/4885CA2 2138/4885CA1 3818/4885
US-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD PTPN7, PTPN3, PTPN5 PNMT 3573/4885CA2 726/4885CA1 2837/4885

“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.