SCHEMBL941191

SCHEMBL941191

NS(=O)(=O)c1cc(C(=O)O)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
PTK2B Q14289 2/20 0.58
CDC25B P30305 1/20 0.53
NEU3 Q9UQ49 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
CA12 O43570 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CA6 P23280 2/20 0.50
CA7 P43166 2/20 0.50
CA3 P07451 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
HTT P42858 2/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 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
Hydrochloric Acid SCHEMBL11169517 0.98 PKM (0.57) PKMPTK2BCDC25BNEU3SMN1; SMN2
SCHEMBL29787231 0.85 NEU3 (0.57) PKMPTK2BCDC25BNEU3SMN1; SMN2
SCHEMBL2778224 0.85 ACLY (0.51) PKMPTK2BNEU3SMN1; SMN2CA1
SCHEMBL2777527 0.85 NEU3 (0.57) PKMPTK2BCDC25BNEU3SMN1; SMN2
SCHEMBL11169516 0.84 PTK2B (0.42) PKMPTK2BNEU3SMN1; SMN2CA1
SCHEMBL11533341 0.84 CA2 (0.46) PKMPTK2BCA1CA2CA9
SCHEMBL2593426 0.81 PTK2B (0.58) PKMPTK2BCDC25BSMN1; SMN2HTT
SCHEMBL29403183 0.81 PTK2B (0.58) PKMPTK2BCDC25BSMN1; SMN2HTT
SCHEMBL940353 0.81 PTK2B (0.58) PKMPTK2BCDC25BSMN1; SMN2HTT
SCHEMBL20647086 0.80 KDM4E (0.50) PKMPTK2BCA1CA2CA9

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838519-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS UNIV COLLEGE DUBLIN NAT UNIV OF IRELAND DUBLIN (IE) 2017-11-22 EP disclosed
EP-2838519-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS UNIV COLLEGE DUBLIN NAT UNIV OF IRELAND DUBLIN (IE) 2017-11-22 EP disclosed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-20170298020-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS ATXA THERAPEUTICS LIMITED (IE) 2017-10-19 US disclosed
US-20170298020-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS ATXA THERAPEUTICS LIMITED (IE) 2017-10-19 US disclosed
US-20170298020-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS ATXA THERAPEUTICS LIMITED (IE) 2017-10-19 US disclosed
US-9738599-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-08-22 US disclosed
US-9738599-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-08-22 US disclosed
US-9738599-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-08-22 US disclosed
US-9718781-B2 Methods and compounds for treating proliferative disorders and viral infections UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-08-01 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054581-A2 CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
CN-1049888-C Benzoylguanidine, process for preparing same, their use as medicine and medicine containing same HOECHST AG (DE) 2000-03-01 CN disclosed
EP-0416499-B1 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AG (DE) 1995-04-26 EP disclosed
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
CN-1050018-A Benzoylguanidines, they the preparation method, they are as the application of medicament and the medicament that contains them HOECHST AG (DE) 1991-03-20 CN disclosed
EP-0416499-A2 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed
EP-0068407-A1 Aminosulfonylbenzoic acid derivatives HODOGAYA CHEMICAL CO., LTD. (JP) 1983-01-05 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-20170298020-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS TBXA2R, PTGFR, TBXAS1 PKM 938/4885PTK2B 717/4885CDC25B 1326/4885

“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.