SCHEMBL2174084

SCHEMBL2174084

O=S(=O)(O)c1cc[c]cc1.[Zr]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 7/20 0.48
NT5E P21589 1/20 0.48
TDP1 Q9NUW8 3/20 0.43
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 4/20 0.37
NAPRT Q6XQN6 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ING2 Q9H160 1/20 0.33
CYP2C19 P33261 2/20 0.33
TIMP3 P35625 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
Water SCHEMBL28012117 0.97 TSHR (0.55) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL50583 0.97 TSHR (0.55) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL4833872 0.95 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL27450647 0.95 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL27579780 0.95 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL27679460 0.95 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1NT5E
Lithium Ion SCHEMBL28696465 0.84 ALDH1A1 (0.45) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL8510776 0.83 LMNA (0.50) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL8507889 0.83 LMNA (0.50) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL9153268 0.78 SMN1; SMN2 (0.47) TSHRSMN1; SMN2LMNAALDH1A1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270499-A1 Process for Synthesizing Atazanavir OXYRANE (UK) LIMITED (UK) 2009-10-29 US claimed
WO-2009130534-A1 PROCESS FOR SYNTHESIZING ATAZANAVIR OXYRANE (PTY) LTD. (ZA) 2009-10-29 WO claimed
EP-1292634-B1 PERFLUOROSULFONIC ACID MEMBRANES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR FUEL CELLS FUMA TECH GES FUER FUNKTIONELL (DE) 2005-12-07 EP claimed
US-9023553-B2 Multilayered composite proton exchange membrane and a process for manufacturing the same CHEMSULTANTS INTERNATIONAL, INC. (US) 2015-05-05 US disclosed
US-7973109-B2 Crosslinked type layered metal phosphonate compound, production process therefor, non-crosslinked type layered metal phosphonate compound, production process therefor, as well as stock solution KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-07-05 US disclosed
US-20090270499-A1 Process for Synthesizing Atazanavir OXYRANE (UK) LIMITED (UK) 2009-10-29 US disclosed
WO-2009130534-A1 PROCESS FOR SYNTHESIZING ATAZANAVIR OXYRANE (PTY) LTD. (ZA) 2009-10-29 WO disclosed
US-20090093607-A1 Crosslinked type layered metal phosphonate compound, production process therefor, non-crosslinked type layered metal phosphonate compound, production process therefor, as well as stock solution KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2009-04-09 US disclosed
WO-2005006474-A1 HIGH TEMPERATURE PROTON EXCHANGE MEMBRANE USING IONOMER/SOILD PROTON CONDUCTOR, PREPARATION METHOD THEREOF AND FUEL CELL CONTAINING THE SAME SOGANG UNIVERSITY (KR) 2005-01-20 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 (2 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-20090093607-A1 Crosslinked type layered metal phosphonate compound, production process therefor, non-crosslinked type layered metal phosphonate compound, production process therefor, as well as stock solution WEE1, WEE2, PPIP5K2 TSHR 4495/4885SMN1; SMN2 4755/4885LMNA 4429/4885
US-20090270499-A1 Process for Synthesizing Atazanavir SAMHD1, TYMS, COASY TSHR 3367/4885SMN1; SMN2 4559/4885LMNA 4016/4885

“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.