SCHEMBL7414871

SCHEMBL7414871

Cc1ccccc1S(=O)(=O)NCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
MMP1 P03956 1/20 0.54
GAA P10253 1/20 0.54
MMP12 P39900 1/20 0.54
AKR1B1 P15121 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
PKLR P30613 1/20 0.49
MAPT P10636 1/20 0.49
ITGAV P06756 1/20 0.48
PKM P14618 1/20 0.48
MEP1B Q16820 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL7200209 0.87 PKM (0.51) ALDH1A1SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL8415212 0.86 PKM (0.48) ALDH1A1SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL5320463 0.85 ITGAV (0.51) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL2842146 0.83 MEP1B (0.68) MMP1MMP12PKMMEP1B
SCHEMBL15548708 0.83 ALDH1A1 (0.53) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL28216424 0.81 CA1 (0.56) MMP1SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL27463180 0.81 ALDH1A1 (0.56) ALDH1A1MAPTPKMMEP1BKMT2A
SCHEMBL4183041 0.79 MAPT (0.68) ALDH1A1MMP1GAAMMP12PKLR
SCHEMBL11128334 0.79 ALDH1A1 (0.67) ALDH1A1PKLRCA12CA9
SCHEMBL30194714 0.78 PKM (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287456-B1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO LTD (CN) 2020-08-26 EP claimed
CN-113507943-B Magnetic resonance imaging medicament containing deuterated sarcosine and diagnostic method using same 索尔维克斯有限公司 2023-12-01 CN disclosed
CN-113507943-A Magnetic resonance imaging drug containing deuterated sarcosine and diagnostic method using same 索尔维克斯有限公司 2021-10-15 CN disclosed
CN-108025574-B Thermal recording medium 三光株式会社 2019-04-16 CN disclosed
CN-108025574-A Thermal recording medium 三光株式会社 2018-05-11 CN disclosed
US-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
CN-101443349-A Compounds and compositions as channel activating protease inhibitors IRM LLC (VG) 2009-05-27 CN disclosed
EP-1027333-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2000-11-08 EP disclosed
US-6133297-A 4-((SUBSTITUTED)AMINO(SUBSTITUTED)ALKYLCARBONYLAMINO (SUBTITUTED)ALKYLAMINO)PYRIDINE COMPOUNDS OF GIVEN FORMULA; ADMINISTERING TO TREAT THROMBOSIS MERCK & CO., INC. (US) 2000-10-17 US disclosed
EP-1027333-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-08-16 EP disclosed
WO-1999016750-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1999-04-08 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 (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-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD ALDH1A1 1612/4885MMP1 3426/4885GAA 2338/4885

“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.