SCHEMBL78760

SCHEMBL78760

O=S(=O)(O)c1cc(Cl)ccc1Cl.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MCL1 Q07820 3/20 0.52
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
AKR1B1 P15121 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.44
ACHE P22303 1/20 0.44
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR1 P21554 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL29384019 0.98 MCL1 (0.53) ALDH1A1MCL1TSHRL3MBTL1HPGD
SCHEMBL198460 0.98 MCL1 (0.53) ALDH1A1MCL1TSHRL3MBTL1HPGD
Hydrochloric Acid SCHEMBL8922332 0.96 ALDH1A1 (0.52) ALDH1A1MCL1TSHRL3MBTL1HPGD
SCHEMBL3695138 0.96 ALDH1A1 (0.52) ALDH1A1MCL1TSHRL3MBTL1HPGD
SCHEMBL3009009 0.96 ALDH1A1 (0.52) ALDH1A1MCL1TSHRL3MBTL1HPGD
SCHEMBL5078515 0.96 ALDH1A1 (0.52) ALDH1A1MCL1TSHRL3MBTL1HPGD
Hydrochloric Acid SCHEMBL11157085 0.96 ALDH1A1 (0.52) ALDH1A1MCL1TSHRL3MBTL1HPGD
SCHEMBL78762 0.96 ALDH1A1 (0.52) ALDH1A1MCL1TSHRL3MBTL1HPGD
Water SCHEMBL31261447 0.96 ALDH1A1 (0.52) ALDH1A1MCL1TSHRL3MBTL1HPGD
Water SCHEMBL28663433 0.96 ALDH1A1 (0.52) ALDH1A1MCL1TSHRL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8128836-B2 Electrolyte membrane and method of selecting the same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-08-04 US disclosed
EP-2315589-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A beta2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-04 EP disclosed
WO-2009139708-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A β2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009139707-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
US-20090166579-A1 Electrolyte Membrane and Method of Selecting the Same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2009-07-02 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 (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-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A ALDH1A1 1393/4885MCL1 4598/4885TSHR 341/4885

“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.