SCHEMBL14200039

SCHEMBL14200039

CC(C)c1ccc(F)c(S(N)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
KAT6A Q92794 1/20 0.39
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 2/20 0.38
CNR1 P21554 1/20 0.38
RNASEH1 O60930 1/20 0.38
MAPT P10636 4/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
TP53 P04637 2/20 0.37
TYR P14679 1/20 0.37
TET2 Q6N021 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL23598880 0.85 PTGS1 (0.41) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL799129 0.83 KAT6A (0.40) ALDH1A1KAT6ACNR1RNASEH1MAPT
SCHEMBL12545564 0.79 TRPA1 (0.52) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL29469912 0.79 ALDH1A1 (0.41) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL17093011 0.79 ALDH1A1 (0.41) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL13947629 0.78 CA1 (0.49) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL1805045 0.78 ALDH1A1 (0.40) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL1805043 0.78 ALDH1A1 (0.40) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL7219388 0.76 ALDH1A1 (0.39) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL16368596 0.76 CNR1 (0.45) ALDH1A1HTTKAT6ACNR1MAPT

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-9242975-B2 Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-8987311-B2 Triazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-02-12 US disclosed
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-01-08 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (3 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-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK3, IRAK1 ALDH1A1 3721/4885GAA 4084/4885ALOX12 4691/4885
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK2 ALDH1A1 4086/4885GAA 4531/4885ALOX12 4777/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885GAA 1095/4885ALOX12 4481/4885

“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.