SCHEMBL5326314

SCHEMBL5326314

N#CC(CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.60
KMT2A Q03164 1/20 0.58
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
ALPG P10696 2/20 0.49
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL434696 0.84 ESR1 (0.58) FFAR1KMT2AALDH1A1
SCHEMBL8700030 0.83 KMT2A (0.67) FFAR1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL1343883 0.83 FFAR1 (0.51) FFAR1KMT2A
SCHEMBL27862777 0.83 FFAR1 (0.51) FFAR1KMT2A
SCHEMBL9556420 0.83 FFAR1 (0.51) FFAR1KMT2A
SCHEMBL18382535 0.82 FFAR1 (0.60) FFAR1KMT2ALMNA
SCHEMBL17144644 0.82 FFAR1 (0.44) FFAR1KMT2AALDH1A1
SCHEMBL10260682 0.82 FFAR1 (0.62) FFAR1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL20408613 0.82 FFAR1 (0.60) FFAR1KMT2ALMNA
SCHEMBL7831088 0.81 FFAR1 (0.49) FFAR1KMT2A

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
WO-2007136325-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 2 ASTRAZENECA AB (SE) 2007-11-29 WO disclosed
WO-2007136326-A2 ) T E TEXT AS EEN ESTA S E Y T S UT O TY TO REA AS O OWS: 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 3 ASTRAZENECA AB (SE) 2007-11-29 WO disclosed
US-20070270400-A1 New compounds 303 ALBIREO AB (SE) 2007-11-22 US disclosed
US-20070270399-A1 New compounds 302 ALBIREO AB (SE) 2007-11-22 US disclosed
EP-0271225-B1 INDENE DERIVATIVES AND METHODS H. LUNDBECK A/S (DK) 1993-10-13 EP disclosed
US-4873344-A Cyano containing indene derivatives H. LUNDBECK A/S (DK) 1989-10-10 US disclosed
EP-0271225-A2 Indene derivatives and methods H. LUNDBECK A/S (DK) 1988-06-15 EP 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 (2 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-20070270400-A1 New compounds 303 CYP11B2, CYP11B1, SDHA FFAR1 2759/4885KMT2A 4148/4885LMNA 2492/4885
US-20070270399-A1 New compounds 302 CYP11B2, CYP11B1, CYP4B1 FFAR1 2456/4885KMT2A 3852/4885LMNA 2543/4885

“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.