SCHEMBL1488032

SCHEMBL1488032

CNc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HPGD P15428 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
LMNA P02545 2/20 0.68
KDM4E B2RXH2 1/20 0.68
HTT P42858 1/20 0.68
KEAP1 Q14145 1/20 0.62
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 1/20 0.59
KIF11 P52732 4/20 0.57
PGR P06401 1/20 0.53
RECQL P46063 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
HIF1A Q16665 1/20 0.52

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 SCHEMBL1530551 0.98 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL21254711 0.93 KIF11 (0.68) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL12054668 0.89 KEAP1 (0.75) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL28047457 0.88 LMNA (0.67) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL31041151 0.82 KIF11 (0.79) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL6014610 0.81 HPGD (1.00) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL82733 0.80 CA1 (0.64) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL522309 0.80 KEAP1 (0.62) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
Lithium SCHEMBL31041154 0.80 KIF11 (0.76) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL11562750 0.78 CA1 (0.61) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
CN-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US disclosed
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. 2020-01-30 US disclosed
CN-110668988-A Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2020-01-10 CN disclosed
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
WO-2017175068-A1 THIAZOLOPYRIDINE DERIVATIVES AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 WO disclosed
US-20170166523-A9 MEK Inhibitors And Methods Of Their Use EXELIXIS, INC. 2017-06-15 US disclosed
US-20080312222-A1 4-Benzyledene-Piperidin Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-12-18 US disclosed
US-20080312222-A1 4-Benzyledene-Piperidin Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-12-18 US disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed
EP-1934174-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2008-06-25 EP disclosed
WO-2007044515-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2007-04-19 WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed
US-4533626-A Photographic light-sensitive material with 4-(paranitrophenylazo)naphthol dyes FUJI PHOTO FILM CO., LTD. (JP) 1985-08-06 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 (7 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-20170166523-A9 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 ALDH1A1 1208/4885HPGD 391/4885SMN1; SMN2 3819/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HPGD 413/4885SMN1; SMN2 3755/4885
US-20080312222-A1 4-Benzyledene-Piperidin Derivatives GRIN2C, GRIN2A, GRIN1 ALDH1A1 761/4885HPGD 801/4885SMN1; SMN2 1837/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS ALDH1A1 1438/4885HPGD 718/4885SMN1; SMN2 3846/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HPGD 413/4885SMN1; SMN2 3755/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HPGD 413/4885SMN1; SMN2 3755/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 ALDH1A1 1234/4885HPGD 413/4885SMN1; SMN2 3755/4885

“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.