SCHEMBL2931789

SCHEMBL2931789

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nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2932663 1.00 PTGS1 (0.34) PTGS1TSHRALDH1A1ALOX15RECQL
SCHEMBL2928510 0.73 PTGS1 (0.43) PTGS1TSHRALDH1A1ALOX15RECQL
SCHEMBL2931476 0.73 PTGS1 (0.43) PTGS1TSHRALDH1A1ALOX15RECQL
SCHEMBL2928506 0.73 PTGS1 (0.43) PTGS1TSHRALDH1A1ALOX15RECQL
SCHEMBL454525 0.72 TSHR (0.44) PTGS1TSHRALDH1A1ALOX15RECQL
SCHEMBL19379407 0.72 TSHR (0.44) PTGS1TSHRALDH1A1ALOX15RECQL
SCHEMBL454524 0.72 TSHR (0.44) PTGS1TSHRALDH1A1ALOX15RECQL
SCHEMBL10308367 0.71 GABRP (0.35) ALDH1A1
SCHEMBL10308366 0.71 GABRP (0.35) ALDH1A1
SCHEMBL15563789 0.70 TP53 (0.32)

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-2408927-B1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME HELMHOLTZ INFEKTIONSFORSCHUNG (DE) 2013-11-27 EP disclosed
US-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same INSTITUTE OF CATALYSIS (CSIC) (ES) 2012-09-13 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
EP-1737842-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2010-08-18 EP disclosed
US-20090178161-A1 METHOD FOR DIRECTING NUCLEIC ACIDS TO PLASTIDS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2009-07-09 US disclosed
US-5166060-A Prepared by the action of 2,3-dihydroxybenzoate-3,4-dioxygenase on 2,3-dihydroxybenzoic acid CELGENE CORPORATION (US) 1992-11-24 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 (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-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same SI, GUSB, MPI PTGS1 3101/4885TSHR 4023/4885ALDH1A1 194/4885

“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.