SCHEMBL7136191

SCHEMBL7136191

CC(Cc1c(F)cccc1F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
TBXAS1 P24557 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
RXRA P19793 1/20 0.39
NR4A2 P43354 1/20 0.39
PRSS1 P07477 1/20 0.38
TMPRSS15 P98073 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL23964694 0.79 OPRM1 (0.43) APAF1L3MBTL1KDM4EPOLBMAPT
SCHEMBL6443526 0.79 KDM4E (0.51) APAF1L3MBTL1KDM4EPOLBMAPT
SCHEMBL20322838 0.79 KDM4E (0.51) APAF1L3MBTL1KDM4EPOLBMAPT
SCHEMBL188587 0.77 SLC7A5 (0.55) L3MBTL1KDM4EPOLBMAPTRECQL
SCHEMBL20514005 0.77 SLC7A5 (0.55) L3MBTL1KDM4EPOLBMAPTRECQL
SCHEMBL188588 0.77 SLC7A5 (0.55) L3MBTL1KDM4EPOLBMAPTRECQL
SCHEMBL9780678 0.77 AKR1B1 (0.52) APAF1L3MBTL1KDM4EPOLBMAPT
SCHEMBL9780682 0.77 AKR1B1 (0.52) APAF1L3MBTL1KDM4EPOLBMAPT
SCHEMBL11809864 0.77 PPARG (0.37) L3MBTL1MAPTALDH1A1HPGDPPARG
SCHEMBL29522638 0.77 ITGB2 (0.44) L3MBTL1POLBSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 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 (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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 APAF1 4745/4885L3MBTL1 4066/4885KDM4E 2450/4885

“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.