SCHEMBL1727436

SCHEMBL1727436

O=S(=O)(O)c1ccc(CCCO)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.69
CA1 P00915 3/20 0.52
CA12 O43570 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
LMNA P02545 1/20 0.46
CYP4A11 Q02928 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NT5E P21589 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PPARA Q07869 1/20 0.41
TBXA2R P21731 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.41

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 SCHEMBL27898333 0.98 CA2 (0.67) CA2CA1CA12CA4CA6
SCHEMBL1806460 0.94 CA2 (0.70) CA2CA1CA12CA4CA6
SCHEMBL28913292 0.92 CA2 (0.71) CA2CA1CA12CA4CA6
SCHEMBL28913301 0.92 CA2 (0.71) CA2CA1CA12CA4CA6
SCHEMBL30446884 0.89 CA2 (0.57) CA2CA1CA12CA4CA6
SCHEMBL92261 0.87 CA2 (0.67) CA2CA1CA12CA4CA6
SCHEMBL8464844 0.85 CA2 (0.64) CA2CA1CA12CA4CA6
SCHEMBL11583429 0.84 LMNA (0.56) CA2CA1CA12CA4CA6
SCHEMBL1808940 0.83 CA2 (0.48) CA2CA1CA12CA4CA6
SCHEMBL10557150 0.82 CA2 (0.49) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940007-B1 TYROSINE DERIVATIVE AND MANUFACTURING METHOD FOR TYROSINE DERIVATIVE NARD INSTITUTE LTD (JP) 2017-12-20 EP disclosed
EP-2940007-A2 TYROSINE DERIVATIVE AND MANUFACTURING METHOD FOR TYROSINE DERIVATIVE Nard Institute, Ltd. (JP) 2015-11-04 EP disclosed
US-8907126-B2 Tyrosine derivative and method for producing tyrosine derivative NARD INSTITUTE, LTD. (JP) 2014-12-09 US disclosed
US-20140187814-A1 TYROSINE DERIVATIVE AND METHOD FOR PRODUCING TYROSINE DERIVATIVE NARD INSTITUTE, LTD. (JP) 2014-07-03 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20140187814-A1 TYROSINE DERIVATIVE AND METHOD FOR PRODUCING TYROSINE DERIVATIVE TH, MTNR1A, MTNR1B CA2 1265/4885CA1 1696/4885CA12 2240/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CA2 1279/4885CA1 798/4885CA12 1243/4885
US-20090252679-A1 Novel Compound Having Affinity for Amyloid APBA1, SAAL1, SLC43A1 CA2 2231/4885CA1 1100/4885CA12 1940/4885
US-20100267952-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME APBA1, APP, SAAL1 CA2 1513/4885CA1 370/4885CA12 1180/4885
US-20120271053-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APBA1, SAAL1, SLC43A1 CA2 2231/4885CA1 1100/4885CA12 1940/4885

“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.