SCHEMBL5317709

SCHEMBL5317709

CC(O)(C(=O)Nc1ccc(C(=O)O)cc1)C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 12/20 0.75
PDK2 Q15119 12/20 0.75
PDK3 Q15120 12/20 0.75
PDK4 Q16654 12/20 0.75
ABCC9 O60706 10/20 0.75
ABCC8 Q09428 10/20 0.75
KCNJ11 Q14654 10/20 0.75
KCNJ8 Q15842 10/20 0.75
ABCB11 O95342 1/20 0.75
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62

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
Zd-6169 SCHEMBL2123811 0.86 ABCC9 (1.00) PDK1PDK2PDK3PDK4ABCC9
Zd-6169 SCHEMBL4261046 0.86 ABCC9 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL28050469 0.84 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6359557 0.84 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL8866509 0.83 ABCC9 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7332862 0.80 L3MBTL1 (0.76) MEN1KMT2A
SCHEMBL434636 0.80 CA12 (0.56) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL8488331 0.78 ABCC9 (0.76) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7523309 0.78 PDK1 (0.70) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL15962158 0.77 EPHX2 (0.57) PDK1PDK2PDK3PDK4ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007084614-A2 HAIR GROWTH FORMULA SAKURA PROPERTIES, LLC (US) 2007-07-26 WO claimed
US-20060210515-A1 HAIR GROWTH FORMULA SAKURA PROPERTIES, LLC 2006-09-21 US claimed
US-20030206935-A1 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof L'OREAL 2003-11-06 US claimed
US-6602869-B1 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof L'OREAL S.A. (FR) 2003-08-05 US claimed
EP-1169300-B1 COMPOUNDS DERIVED FROM BENZOIC ACID ESTERS, COMPOSITION CONTAINING SAID COMPOUNDS AND USE THEREOF OREAL (FR) 2003-05-28 EP claimed
WO-2007084614-A2 HAIR GROWTH FORMULA SAKURA PROPERTIES, LLC (US) 2007-07-26 WO disclosed
US-7125991-B2 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof L'OREAL S.A. (FR) 2006-10-24 US disclosed
US-20060210515-A1 HAIR GROWTH FORMULA SAKURA PROPERTIES, LLC 2006-09-21 US disclosed
US-20050101645-A1 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof GALEY JEAN-BAPTISTE (FR) 2005-05-12 US disclosed
US-6844003-B2 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof L'OREAL (FR) 2005-01-18 US disclosed
US-20030206935-A1 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof L'OREAL 2003-11-06 US disclosed
US-6602869-B1 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof L'OREAL S.A. (FR) 2003-08-05 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-20030206935-A1 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof CRAT, ETF1, BCOR PDK1 2930/4885PDK2 2326/4885PDK3 2572/4885
US-20050101645-A1 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof HDAC7, RBBP7, KAT7 PDK1 2873/4885PDK2 1641/4885PDK3 1597/4885
US-20060210515-A1 HAIR GROWTH FORMULA HGF, HDGF, HGFAC PDK1 2120/4885PDK2 2376/4885PDK3 2820/4885

“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.