SCHEMBL4252383

SCHEMBL4252383

COc1ccc(CN(CCCN(Cc2ccccc2)C(=O)O)C(=O)OCc2scnc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.41
LPAR1 Q92633 4/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LPAR5 Q9H1C0 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.39
SNCA P37840 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL893181 0.92 L3MBTL1 (0.44) TSHRTDP1MAPK1LPAR1PPARG
SCHEMBL893827 0.90 CYP3A4 (0.48) TSHRTDP1PPARGPPARA
SCHEMBL4251206 0.88 ALOX5 (0.43) ALOX5L3MBTL1
SCHEMBL4245373 0.80 CYP3A4 (0.38) TSHRALDH1A1POLBGAAMAPT
SCHEMBL4390635 0.80 ACHE (0.39) ALDH1A1GAAMAPTACHEHTT
SCHEMBL893517 0.79 CYP3A4 (0.48) TDP1ALOX5L3MBTL1
SCHEMBL4252360 0.78 CYP3A4 (0.49) TSHRTDP1ALDH1A1NPSR1MEN1
SCHEMBL4251210 0.76 CYP3A4 (0.51) TDP1ALOX5L3MBTL1
SCHEMBL16272906 0.75 TSHR (0.49) TSHRTDP1LPAR1ALDH1A1NPSR1
SCHEMBL16295819 0.75 TSHR (0.51) TSHRTDP1LPAR1ALDH1A1NPSR1

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-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP claimed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
EP-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
EP-2081917-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF Abbott Laboratories (US) 2009-07-29 EP disclosed
WO-2008027932-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-03-06 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-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR TSHR 4236/4885TDP1 610/4885MAPK1 1452/4885

“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.