SCHEMBL6774971

SCHEMBL6774971

COCCN(CC(=O)Nc1ccc(C(C)C)cc1C(F)(F)F)Cc1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR2 O43614 4/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
PPARA Q07869 5/20 0.34
LMNA P02545 2/20 0.34
GCGR P47871 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6784803 0.91 PPARA (0.41) ALDH1A1MEN1GAAKMT2AHCRTR2
SCHEMBL6779567 0.87 PPARA (0.45) ALDH1A1MEN1GAAKMT2AHCRTR2
SCHEMBL6774413 0.84 PPARA (0.33) ALDH1A1MEN1GAAKMT2ANPC1
SCHEMBL6784863 0.81 PPARA (0.55) ALDH1A1MEN1GAAKMT2AHCRTR2
SCHEMBL6781086 0.81 PPARA (0.41) ALDH1A1MEN1GAAKMT2APPARA
SCHEMBL6780618 0.81 PPARA (0.44) HCRTR2RAB9APPARALMNAPPARG
Hydrochloric Acid SCHEMBL6779016 0.80 PPARA (0.54) ALDH1A1MEN1GAAKMT2AHCRTR2
SCHEMBL6780585 0.77 PPARA (0.38) MEN1KMT2AHCRTR2PPARALMNA
SCHEMBL6780911 0.76 PPARA (0.47) ALDH1A1MEN1GAAKMT2AHCRTR2
SCHEMBL4887402 0.76 MEN1 (0.34) ALDH1A1MEN1KMT2AHCRTR2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG ALDH1A1 257/4885MEN1 4797/4885GAA 1063/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885MEN1 4851/4885GAA 1680/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885MEN1 4851/4885GAA 1680/4885

“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.