SCHEMBL1727437

SCHEMBL1727437

Cc1ccc(S(=O)(=O)O)cc1CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.38
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 4/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.35
NT5E P21589 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL27898332 0.98 SNCA (0.37) SNCAALDH1A1HSD17B10CA2CA12
SCHEMBL10596213 0.91 ALDH1A1 (0.41) SNCAALDH1A1HSD17B10CA2CA12
SCHEMBL28542745 0.90 CA2 (0.45) SNCAALDH1A1HSD17B10CA2LMNA
SCHEMBL16028578 0.88 CA2 (0.42) SNCAALDH1A1HSD17B10CA2LMNA
SCHEMBL10598218 0.87 SNCA (0.39) SNCAALDH1A1HSD17B10CA2CA12
SCHEMBL1808179 0.86 ALDH1A1 (0.39) SNCAALDH1A1HSD17B10CA2CA12
SCHEMBL3339141 0.86 FFAR4 (0.40) SNCAALDH1A1HSD17B10CA2LMNA
SCHEMBL1804750 0.86 SNCA (0.38) SNCAALDH1A1HSD17B10CA2CA12
SCHEMBL1807548 0.85 ALDH1A1 (0.40) SNCAALDH1A1HSD17B10CA2CA12
SCHEMBL29006523 0.84 PTGS2 (0.45) SNCAKDM4E

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
US-8506930-B2 Compounds having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2013-08-13 US disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-8303935-B2 Alkoxy substituted imidazo[1,2-a]pyridines having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-11-06 US disclosed
US-20120271053-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-10-25 US disclosed
WO-2011029443-A8 DEVICE FOR A MULTIPLE SOCKET FOR RECEIVING PLUG CONNECTIONS HOHENADEL THORSTEN (DE) 2012-05-10 WO disclosed
EP-2019103-B1 COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDIPHYSICS CO LTD (JP) 2011-11-30 EP disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-20100267952-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-10-21 US disclosed
EP-2218463-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-18 EP disclosed
US-20090252679-A1 Novel Compound Having Affinity for Amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2009-10-08 US disclosed
EP-2019103-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2009-01-28 EP disclosed
EP-1723142-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
WO-2005087763-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 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 (4 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 SNCA 1203/4885ALDH1A1 218/4885HSD17B10 2848/4885
US-20090252679-A1 Novel Compound Having Affinity for Amyloid APBA1, SAAL1, SLC43A1 SNCA 22/4885ALDH1A1 1324/4885HSD17B10 3826/4885
US-20100267952-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME APBA1, APP, SAAL1 SNCA 12/4885ALDH1A1 950/4885HSD17B10 3437/4885
US-20120271053-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APBA1, SAAL1, SLC43A1 SNCA 22/4885ALDH1A1 1324/4885HSD17B10 3826/4885

“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.