SCHEMBL14439409

SCHEMBL14439409

CC(C)(C)c1cccc2c(CC(=O)O)csc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
PPARG P37231 3/20 0.36
NR1H4 Q96RI1 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKR1B1 P15121 2/20 0.35
TP53 P04637 2/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
GLA P06280 1/20 0.34
STING1 Q86WV6 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL14457190 0.80 TDP1 (0.49) TDP1KEAP1NFE2L2PPARDPPARA
SCHEMBL27594618 0.75 TDP1 (0.50) TDP1KEAP1NFE2L2PPARDPPARA
SCHEMBL14439427 0.74
SCHEMBL28093194 0.73 CA2 (0.41) TDP1CA2PTGS2
SCHEMBL3852706 0.72 AKR1B1 (0.55) TDP1NR1H4CYP1A2CYP2C19AKR1B1
SCHEMBL7792855 0.71 CA2 (0.55) TDP1NR1H4CYP1A2AKR1B1CA2
SCHEMBL28079937 0.71 AKR1B1 (0.46) TDP1NR1H4CYP1A2CYP2C19AKR1B1
SCHEMBL14564352 0.71 SMN1; SMN2 (0.51) TDP1KEAP1NFE2L2PPARDPPARA
SCHEMBL19178051 0.70 KEAP1 (0.43) TDP1KEAP1NFE2L2PPARDPPARA
SCHEMBL1233284 0.69 CYP2A6 (0.63) TDP1KEAP1NFE2L2PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-08-16 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 (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-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR PPARG, PPARD, PPARA TDP1 2931/4885KEAP1 1877/4885NFE2L2 561/4885

“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.