SCHEMBL3428071

SCHEMBL3428071

O=C(O)c1ccccc1C(=O)CF

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
ALOX15 P16050 1/20 0.64
AKR1C3 P42330 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HMGB1 P09429 2/20 0.48
HPGD P15428 2/20 0.48
NAPRT Q6XQN6 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
Phthalic Acid SCHEMBL28415888 0.83 ALDH1A1 (0.93) ALDH1A1ALOX15AKR1C3KDM4EHMGB1
Phthalic Acid SCHEMBL198844 0.83 ALDH1A1 (0.93) ALDH1A1ALOX15AKR1C3KDM4EHMGB1
SCHEMBL11950516 0.81 ALDH1A1 (0.70) ALDH1A1ALOX15AKR1C3KDM4EHMGB1
SCHEMBL4401024 0.81 ALB (0.57) ALDH1A1ALOX15KDM4EHMGB1HPGD
Phthalic Acid SCHEMBL27655252 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHMGB1
Phthalic Acid SCHEMBL10731126 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHMGB1
Phthalic Acid SCHEMBL27876734 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHMGB1
Phthalic Acid SCHEMBL27443690 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHMGB1
Phthalic Acid SCHEMBL27329792 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHMGB1
Phthalic Acid SCHEMBL120005 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689233-B1 BICYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2012-07-04 EP disclosed
US-7772234-B2 7-(2,4-Dichlorophenylamino)-8-fluoro-4-methyl-cinnoline-6-carboxylic acid (2-hydroxyethoxy)-amide; mitogen activated protein, extracellular signal regulated kinase, kinase inhibitor; cancer and inflammation ARRAY BIOPHARMA INC. (US) 2010-08-10 US disclosed
EP-1689233-A4 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-08-29 EP disclosed
EP-1689233-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051302-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 ALDH1A1 2018/4885ALOX15 1549/4885AKR1C3 388/4885

“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.