SCHEMBL10078874

SCHEMBL10078874

CC(C)(C)c1ccsc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA1 P00915 1/20 0.32
ALOX5 P09917 2/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL1106127 0.77 CA2 (0.39) CA2CA1ALOX5PTGS1PTGS2
SCHEMBL3701609 0.75 ALDH1A1 (0.34) ALDH1A1TDP1CYP2A6
SCHEMBL21718714 0.72 ESR1 (0.31)
SCHEMBL10119790 0.72 CA2 (0.39) CA2CA1ALOX5PTGS1PTGS2
SCHEMBL19066706 0.70 CA2 (0.37) CA2CA1ALOX5PTGS1PTGS2
SCHEMBL21720501 0.70 CA2 (0.37) CA2CA1ALOX5PTGS1PTGS2
SCHEMBL12281795 0.70 CA2 (0.37) CA2CA1ALOX5PTGS1PTGS2
SCHEMBL19389847 0.70 CA2 (0.37) CA2CA1ALOX5PTGS1PTGS2
SCHEMBL25053734 0.68 CA2 (0.31) CA2
SCHEMBL18235313 0.68 CA2 (0.36) CA2CA1ALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048922-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. 2022-02-17 US disclosed
US-11198699-B2 Compounds targeting PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200317686-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. 2020-10-08 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 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 (9 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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 CA2 46/4885CA1 580/4885ALOX5 1527/4885
US-11198699-B2 Compounds targeting PRMT5 PRMT5, PRMT1, PRMT6 CA2 3893/4885CA1 4445/4885ALOX5 3791/4885
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA CA2 1431/4885CA1 3700/4885ALOX5 1036/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CA2 3320/4885CA1 4296/4885ALOX5 335/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA CA2 1433/4885CA1 3721/4885ALOX5 1017/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CA2 3320/4885CA1 4296/4885ALOX5 335/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 CA2 281/4885CA1 278/4885ALOX5 926/4885
US-20200317686-A1 COMPOUNDS TARGETING PRMT5 PRMT5, PRMT1, PRMT6 CA2 3893/4885CA1 4445/4885ALOX5 3791/4885
US-20220048922-A1 COMPOUNDS TARGETING PRMT5 PRMT5, PRMT1, PRMT6 CA2 3893/4885CA1 4445/4885ALOX5 3791/4885

“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.