SCHEMBL4407572

SCHEMBL4407572

COC(=O)c1ccc(OCC(F)F)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
GAA P10253 1/20 0.50
NPC1 O15118 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
MYC P01106 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 2/20 0.45
EGFR P00533 1/20 0.45
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2715200 0.85 NPC1 (0.42) GAANPC1MAPK1TP53RAB9A
SCHEMBL2717584 0.84 ACACB (0.43) PDK2NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL4411088 0.83 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3299600 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL2716028 0.82 NPC1 (0.42) GAANPC1RAB9ALMNACYP3A4
SCHEMBL3207510 0.81 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL15808798 0.81 ALDH1A1 (0.45) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL100519 0.81 KDM4E (0.54) GAAALDH1A1HPGDMAPTTSHR
SCHEMBL4406748 0.81 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL3898816 0.81 CA12 (0.58) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589125-B2 2-acetoxy-4-(2,2,3,3,3-pentafluoropropoxy)benzoic acid; methyl 2-hydroxy-4-(2,2,3,3,3-pentafluoropropoxy)benzoate; psoriasis and other immune diseases PALAU PHARMA, S.A. (ES) 2009-09-15 US claimed
US-20050267205-A1 2,4-dihydroxybenzoic acid derivatives J. URIACH Y COMPANIA S.A. (ES) 2005-12-01 US claimed
EP-1546084-A1 2,4-DIHYDROXYBENZOIC ACID DERIVATIVES J. Uriach y Compania S.A. (ES) 2005-06-29 EP claimed
WO-2004009528-A1 2,4-DIHYDROXYBENZOIC ACID DERIVATIVES J. Uriach Y Compañia S.A. (ES) 2004-01-29 WO claimed
US-7589125-B2 2-acetoxy-4-(2,2,3,3,3-pentafluoropropoxy)benzoic acid; methyl 2-hydroxy-4-(2,2,3,3,3-pentafluoropropoxy)benzoate; psoriasis and other immune diseases PALAU PHARMA, S.A. (ES) 2009-09-15 US disclosed
US-20050267205-A1 2,4-dihydroxybenzoic acid derivatives J. URIACH Y COMPANIA S.A. (ES) 2005-12-01 US disclosed
EP-1546084-A1 2,4-DIHYDROXYBENZOIC ACID DERIVATIVES J. Uriach y Compania S.A. (ES) 2005-06-29 EP disclosed
WO-2004009528-A1 2,4-DIHYDROXYBENZOIC ACID DERIVATIVES J. Uriach Y Compañia S.A. (ES) 2004-01-29 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-20050267205-A1 2,4-dihydroxybenzoic acid derivatives CYP24A1, NFKBIA, PAH CA12 1530/4885CA1 1723/4885CA2 532/4885

“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.