SCHEMBL3682941

SCHEMBL3682941

CCOC(=O)C(OC(=O)C(F)(F)F)Oc1ccc(SC(CC)CNCc2ccc(OC)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
PPARD Q03181 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PPARG P37231 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 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
Trifluoroacetic Acid SCHEMBL3682937 0.81 PPARD (0.44) PPARD
SCHEMBL3681587 0.80 PPARD (0.42) PPARDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL13508291 0.80 PPARD (0.42) PPARDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL23216392 0.63 EPHX2 (0.55) EPHX2KMT2AMEN1KDM4EPPARG
SCHEMBL1560218 0.63 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3680963 0.60 DNM1 (0.59) KMT2AMEN1ALDH1A1ANPEPERAP2
SCHEMBL26618636 0.60 DNM1 (0.59) KMT2AMEN1ALDH1A1ANPEPERAP2
SCHEMBL16839637 0.59 EPHX2 (0.55) EPHX2PPARDPPARG
SCHEMBL11495749 0.59 KMT2A (0.47) EPHX2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL28896240 0.58 KDM4E (0.54) EPHX2KMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG EPHX2 2291/4885PPARD 1/4885KMT2A 2003/4885

“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.