SCHEMBL835127

SCHEMBL835127

CC(C(=O)O)c1cccc(S(C)(=O)=NC(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.44
AKR1C2 P52895 12/20 0.44
PTGS1 P23219 6/20 0.43
PTGS2 P35354 4/20 0.43
MAPT P10636 3/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
SLC22A6 Q4U2R8 2/20 0.43
HIF1A Q16665 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CXCL8 P10145 1/20 0.43

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
SCHEMBL16094885 0.80 F2 (0.48) AKR1C3MAPTKDM4EALDH1A1MEN1
SCHEMBL27503812 0.78 AKR1C3 (0.67) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL16394073 0.78 ATM (0.40) AKR1C3AKR1C2PTGS2ALDH1A1CYP3A4
SCHEMBL27870611 0.77 PTGS2 (0.57) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL3828860 0.76 CYP2C19 (0.41) PTGS2HPGDALDH1A1HSD17B10MEN1
SCHEMBL832607 0.76 PTGS1 (0.51) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL22001968 0.76 ABCC9 (0.48)
SCHEMBL4027609 0.74 PTGS1 (0.53) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL995303 0.74 PTGS1 (0.53) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL16094564 0.74 POLB (0.48) HPGDKDM4EALDH1A1KMT2A

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-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 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 (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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 AKR1C3 3747/4885AKR1C2 3550/4885PTGS1 635/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 AKR1C3 3180/4885AKR1C2 2840/4885PTGS1 649/4885

“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.