SCHEMBL1979515

SCHEMBL1979515

Cc1cc(C(=O)O)c(C)n1-c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 1.00
ALDH1A1 P00352 2/20 0.73
NR1H4 Q96RI1 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 2/20 0.60
USP14 P54578 2/20 0.60
USP7 Q93009 1/20 0.60
NPC1 O15118 2/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59
USP5 P45974 1/20 0.59

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
SCHEMBL21387140 0.87 NOTUM (0.77) NOTUMALDH1A1NR1H4SMN1; SMN2KDM4E
SCHEMBL20604296 0.86 NOTUM (1.00) NOTUMALDH1A1NR1H4SMN1; SMN2HPGD
SCHEMBL3132883 0.84 NOTUM (1.00) NOTUMALDH1A1NR1H4
SCHEMBL1980763 0.83 NOTUM (1.00) NOTUMALDH1A1NR1H4SMN1; SMN2
SCHEMBL4638659 0.83 NOTUM (0.70) NOTUMALDH1A1
SCHEMBL7194378 0.83 NR1H4 (0.76) NOTUMALDH1A1NR1H4
SCHEMBL18452326 0.81 ALDH1A1 (0.71) NOTUMALDH1A1SMN1; SMN2KDM4EUSP14
SCHEMBL1981311 0.81 NOTUM (0.74) NOTUMALDH1A1NR1H4SMN1; SMN2KDM4E
SCHEMBL2211020 0.80 NOTUM (0.67) NOTUMALDH1A1
SCHEMBL11623203 0.80 NOTUM (0.66) NOTUMALDH1A1NR1H4SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206123-B2 Prodrugs of inhibitors of plasma kallikrein ACTIVESITE PHARMACEUTICALS, INC. 2015-12-08 US disclosed
US-20140128436-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2014-05-08 US disclosed
EP-2697196-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN Activesite Pharmaceuticals, Inc. (US) 2014-02-19 EP disclosed
US-8609866-B2 Prodrugs of inhibitors of plasma kallikrein ACTIVESITE PHARMACEUTICALS, INC. (US) 2013-12-17 US disclosed
EP-2512466-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN Activesite Pharmaceuticals, Inc. (US) 2012-10-24 EP disclosed
US-20120264798-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
WO-2012142308-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2012-10-18 WO disclosed
US-20110152533-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKRIEN ACTIVESITE PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
WO-2011075684-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2011-06-23 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 (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-20140128436-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 NOTUM 1127/4885ALDH1A1 1719/4885NR1H4 2422/4885
US-20120264798-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, SERPINE1 NOTUM 1645/4885ALDH1A1 1373/4885NR1H4 3078/4885
US-20110152533-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKRIEN KLKB1, KLK1, KLK5 NOTUM 1201/4885ALDH1A1 1646/4885NR1H4 2420/4885

“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.