SCHEMBL2222678

SCHEMBL2222678

C#CC(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
TP53 P04637 1/20 0.52
SRD5A2 P31213 4/20 0.46
ANPEP P15144 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
TPMT P51580 1/20 0.43

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
SCHEMBL12096689 0.80 ANPEP (0.53) TSHRANPEPCA1CA2CA12
SCHEMBL11747478 0.80 TSHR (0.55) TSHRTP53SRD5A2ANPEPCA1
SCHEMBL6132150 0.79 TSHR (0.48) TSHRTP53SRD5A2ANPEPCA1
SCHEMBL6969522 0.79 CA1 (0.50) TSHRCA1CA2CA12CA9
Carbamic Acid SCHEMBL10434705 0.77 TSHR (0.48) TSHRSMN1; SMN2CES2CES1
SCHEMBL236726 0.77 TSHR (0.58) TSHRALDH1A1
SCHEMBL77244 0.77 TSHR (0.58) TSHRALDH1A1
SCHEMBL235417 0.77 TSHR (0.58) TSHRALDH1A1
SCHEMBL10660558 0.77 TSHR (0.63) TSHRTP53SRD5A2ANPEPCA1
SCHEMBL4640939 0.77 SRD5A2 (0.68) TSHRTP53SRD5A2ANPEPCA1

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-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 EP disclosed
CN-103554006-A Use of indole derivatives as nurr-1 activators for the application thereof as a medicament for the treatment of parkinson's disease FOURNIER LAB SA 2014-02-05 CN disclosed
EP-2521727-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES Laboratoires Fournier S.A. (FR) 2012-11-14 EP disclosed
US-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease LABORATOIRES FOURNIER SA (FR) 2012-09-13 US disclosed
CN-102596906-A Use of indole derivatives as NURR-1 activators as agents for the treatment of Parkinson's disease FOURNIER LAB SA 2012-07-18 CN disclosed
WO-2011083278-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES LABORATOIRES FOURNIER SA (FR) 2011-07-14 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-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease NCOR1, NR0B1, MTNR1A TSHR 95/4885TP53 2041/4885SRD5A2 1848/4885

“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.