SCHEMBL5323334

SCHEMBL5323334

COc1cc(NC(=O)C(C)(O)C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 10/20 0.64
▸ ABCC8 Q09428 10/20 0.64
▸ KCNJ11 Q14654 10/20 0.64
▸ KCNJ8 Q15842 10/20 0.64
▸ PDK1 Q15118 11/20 0.60
▸ PDK2 Q15119 11/20 0.60
▸ PDK3 Q15120 11/20 0.60
▸ PDK4 Q16654 11/20 0.60
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ABCB11 O95342 1/20 0.51

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
SCHEMBL11536864 0.86 CYP1A2 (0.73) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9430839 0.85 CYP1A2 (0.54) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL5317682 0.82 ABCC9 (0.74) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4058493 0.82 ABCC9 (0.74) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5320042 0.81 PDK1 (0.62) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5321364 0.80 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL8866922 0.78 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL1162352 0.77 TDP1 (0.56) CYP1A2CYP2C9CYP2C19
SCHEMBL10105366 0.77 ALDH1A1 (0.56) CYP1A2CYP2C9CYP2C19
SCHEMBL6108536 0.77 MCHR1 (0.64) CYP1A2CYP2C9CYP2C19

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 ABCC9 3156/4885ABCC8 2021/4885KCNJ11 2960/4885
US-20050101645-A1 Compounds derived from benzoic acid esters, composition containing said compounds and use thereof HDAC7, RBBP7, KAT7 ABCC9 2786/4885ABCC8 1452/4885KCNJ11 2571/4885
US-20060210515-A1 HAIR GROWTH FORMULA HGF, HDGF, HGFAC ABCC9 1980/4885ABCC8 951/4885KCNJ11 1304/4885

“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.

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