SCHEMBL6779967

SCHEMBL6779967

Cc1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)Cc2ccc(SC(C)(C)C(=O)O)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PPARA Q07869 8/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6775546 0.91 PPARA (0.40) ALDH1A1NPC1PPARAPPARGPPARD
SCHEMBL6780397 0.90 PPARA (0.41) ALDH1A1LMNAPPARAPPARGPPARD
SCHEMBL6779834 0.89 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL6781052 0.83 PPARA (0.40) ALDH1A1HTTPPARAPPARGPPARD
SCHEMBL6775806 0.83 PPARA (0.55) ALDH1A1HTTLMNAPPARAPPARG
SCHEMBL6778389 0.82 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL6784872 0.81 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL6778713 0.80 PPARA (0.43) ALDH1A1RAB9APPARAPPARGPPARD
SCHEMBL6784703 0.79 PPARA (0.46) ALDH1A1HTTLMNAKDM4EPPARA
SCHEMBL6806841 0.78 PPARA (0.53) ALDH1A1KDM4EPPARAPPARGPPARD

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 257/4885RAB9A 2352/4885NPC1 2362/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885RAB9A 2787/4885NPC1 2557/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885RAB9A 2787/4885NPC1 2557/4885

“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.