SCHEMBL6780237

SCHEMBL6780237

CC(C)c1ccc(NC(=O)CBr)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
PAX8 Q06710 1/20 0.46
GAA P10253 2/20 0.42
HPGD P15428 3/20 0.40
POLB P06746 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PYGL P06737 1/20 0.38
LMNA P02545 1/20 0.38
AR P10275 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
APP P05067 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL24869540 0.82 RAB9A (0.42) ALDH1A1RAB9AHTTNPC1PAX8
SCHEMBL24869541 0.81 KIF11 (0.46) ALDH1A1RAB9AHTTNPC1PAX8
SCHEMBL4504752 0.81 SMN1; SMN2 (0.50) ALDH1A1RAB9AHTTNPC1PAX8
SCHEMBL24869534 0.80 HPGD (0.45) ALDH1A1RAB9AHTTNPC1PAX8
SCHEMBL11216296 0.80 PKM (0.39) RAB9ANPC1GAAHPGDLMNA
SCHEMBL6780501 0.80 ALDH1A1 (0.52) ALDH1A1RAB9AGAAPOLBCYP1A2
SCHEMBL4518641 0.80 DRD4 (0.46) ALDH1A1RAB9AHTTNPC1PAX8
SCHEMBL13518900 0.79 RAB9A (0.40) ALDH1A1RAB9AHTTNPC1PAX8
SCHEMBL15644535 0.77 KMT2A (0.52) ALDH1A1GAAPOLBSMN1; SMN2MAPK1
SCHEMBL17848460 0.74 POLB (0.65) ALDH1A1HTTGAAHPGDPOLB

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 7 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
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP 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
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 WO 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 2352/4885HTT 1760/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885RAB9A 2787/4885HTT 3195/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885RAB9A 2787/4885HTT 3195/4885

“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.