SCHEMBL11964589

SCHEMBL11964589

C#CCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.47
CTSK P43235 1/20 0.46
PKM P14618 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL10825960 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL11017416 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4KMT2AMEN1GAA
SCHEMBL11107247 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL9770803 0.80 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL10050325 0.79 PLCG1 (0.59) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL1169954 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL2522787 0.79 GAA (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL6422563 0.79 PKM (0.53) ALDH1A1KMT2AMEN1GAAPKM
SCHEMBL1482097 0.78 PSIP1 (0.54) ALDH1A1CA12CA1CA2CA3
Hydrochloric Acid SCHEMBL9463319 0.78 GAA (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11539077-B2 Electrolyte additives containing one, two, or more triple-bonded moieties for silicon anode-based li-ion batteries ENEVATE CORPORATION (US) 2022-12-27 US disclosed
US-20220131195-A1 ELECTROLYTE ADDITIVES CONTAINING ONE, TWO, OR MORE TRIPLE-BONDED MOIETIES FOR SILICON ANODE-BASED LI-ION BATTERIES ENEVATE CORPORATION 2022-04-28 US disclosed
US-20120196521-A1 System and Method for Aircraft Cabin Atmospheric Composition Control GEARY ROBERT (US) 2012-08-02 US disclosed
EP-1647679-B1 Spring retainer and method for manufacturing the same HONDA MOTOR CO LTD (JP) 2007-04-04 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 (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-20220131195-A1 ELECTROLYTE ADDITIVES CONTAINING ONE, TWO, OR MORE TRIPLE-BONDED MOIETIES FOR SILICON ANODE-BASED LI-ION BATTERIES SELENOI, SIK1, SIK2 ALDH1A1 264/4885CYP3A4 4627/4885CYP2C9 4574/4885
US-11539077-B2 Electrolyte additives containing one, two, or more triple-bonded moieties for silicon anode-based li-ion batteries SELENOI, SIK1, SIK2 ALDH1A1 264/4885CYP3A4 4627/4885CYP2C9 4574/4885

“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.