SCHEMBL8414710

SCHEMBL8414710

CS(=O)(=O)Oc1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SLC22A12 Q96S37 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
AR P10275 1/20 0.37

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
SCHEMBL32689448 0.81 GAA (0.43) GAAPOLBALDH1A1HTTPKM
SCHEMBL1782863 0.81 CA2 (0.47) GAAPOLBALDH1A1HTTPKM
SCHEMBL19568176 0.81 ELANE (0.53) GAAPOLBALDH1A1HTTPKM
SCHEMBL3839152 0.79 NFE2L2 (0.42) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28030734 0.77 ALDH1A1 (0.31) GAAPOLBALDH1A1HTTPKM
SCHEMBL4443907 0.77 SLC22A12 (0.40) GAAPOLBALDH1A1HTTPKM
SCHEMBL31069766 0.77 SMN1; SMN2 (0.49) GAAPOLBALDH1A1HTTPKM
SCHEMBL17287453 0.76 ALDH1A1 (0.54) GAAPOLBALDH1A1HTTPKM
SCHEMBL6278755 0.76 ALDH1A1 (0.50) GAAPOLBALDH1A1PKMSMN1; SMN2
SCHEMBL9472611 0.73 POLB (0.64) GAAPOLBALDH1A1SLC22A12AR

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
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
CN-105161753-B Lithium ion battery and electrolyte thereof 宁德时代新能源科技股份有限公司 2017-12-26 CN disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 US disclosed
CN-105161753-A Lithium ion battery and electrolyte thereof CONTEMPORARY AMPEREX TECHNOLOGY LTD 2015-12-16 CN disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 EP disclosed
EP-0519299-B1 Positive-working radiation-sensitive composition and radiation-sensitive recording material produced therewith CLARIANT GMBH (DE) 1999-08-11 EP disclosed
EP-0519298-B1 Radiation-sensitive sulfonic acid esters and their use HOECHST AG (DE) 1995-09-13 EP disclosed
US-5442061-A Recording, photoresists, printing plates HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-15 US disclosed
US-5364734-A Sulfonated triazines HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
US-5298364-A Negative photoresists, acid crosslinking HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0519298-A1 Radiation-sensitive sulfonic acid esters and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 EP disclosed
EP-0519299-A1 Positive-working radiation-sensitive composition and radiation-sensitive recording material produced therewith HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 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 (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-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 GAA 1944/4885POLB 3379/4885ALDH1A1 2351/4885

“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.