SCHEMBL982453

SCHEMBL982453

COc1ccc(-c2ccsc2C(=O)O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PTPN1 P18031 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PRKCZ Q05513 4/20 0.48
PRKCI P41743 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL3500295 0.88 RORC (0.45) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL982263 0.81 SMN1; SMN2 (0.54) ALDH1A1HPGDMAPTPTPN1MEN1
SCHEMBL981934 0.79 ALDH1A1 (0.54) ALDH1A1HPGDMAPTHSD17B10PTPN1
SCHEMBL11916725 0.76 TUBB4A (0.49) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL31540409 0.75 DHODH (0.55) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL1549482 0.75 DHODH (0.55) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL834652 0.75 RAB9A (0.50) PTPN1MEN1KMT2AL3MBTL1CA12
SCHEMBL8427571 0.74 ALDH1A1 (0.57) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL28278103 0.74 TUBB4A (0.58) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL1339762 0.74 BCAT2 (0.51) ALDH1A1HPGDMAPTMAPK1HSD17B10

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
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed
CN-101965343-A 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 CN disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US disclosed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 ALDH1A1 532/4885HPGD 869/4885MAPT 3283/4885

“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.