SCHEMBL1980763

SCHEMBL1980763

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 1.00
ALDH1A1 P00352 2/20 0.77
NR1H4 Q96RI1 1/20 0.68
MAPK1 P28482 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 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
SCHEMBL13739403 0.87 ALDH1A1 (1.00) NOTUMALDH1A1NR1H4MAPK1SMN1; SMN2
SCHEMBL20604296 0.86 NOTUM (1.00) NOTUMALDH1A1NR1H4SMN1; SMN2MAPT
SCHEMBL28017620 0.85 NOTUM (0.74) NOTUMALDH1A1NR1H4MAPK1SMN1; SMN2
SCHEMBL3132883 0.84 NOTUM (1.00) NOTUMALDH1A1NR1H4
SCHEMBL1979515 0.83 NOTUM (1.00) NOTUMALDH1A1NR1H4SMN1; SMN2
SCHEMBL11457537 0.83 NOTUM (0.70) NOTUMALDH1A1NR1H4MAPK1SMN1; SMN2
SCHEMBL14226141 0.83 NOTUM (0.70) NOTUMALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL16403258 0.83 NOTUM (0.70) NOTUMALDH1A1
SCHEMBL13740783 0.83 ALDH1A1 (0.72) NOTUMALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL13832765 0.81 NOTUM (0.68) NOTUMALDH1A1MAPK1SMN1; SMN2MAPT

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-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
US-8609866-B2 Prodrugs of inhibitors of plasma kallikrein ACTIVESITE PHARMACEUTICALS, INC. (US) 2013-12-17 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
EP-2512466-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN Activesite Pharmaceuticals, Inc. (US) 2012-10-24 EP 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
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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-20140128436-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 NOTUM 1127/4885ALDH1A1 1719/4885NR1H4 2422/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 NOTUM 4676/4885ALDH1A1 480/4885NR1H4 1110/4885
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.