SCHEMBL8060358

SCHEMBL8060358

Cc1nc(C)n(CCO)c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.35
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL2116829 0.76 ADORA2B (0.33) HSD17B10ALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL10667972 0.74 KMT2A (0.42) TSHRHSD17B10KMT2AALDH1A1LMNA
SCHEMBL10376302 0.69 HSD17B10 (0.43) TSHRHSD17B10KMT2AALDH1A1LMNA
SCHEMBL3828558 0.68 TSHR (0.83) TSHRKMT2AALDH1A1LMNAGFER
SCHEMBL10374724 0.64 HSD17B10 (0.39) TSHRHSD17B10ALDH1A1LMNATHRB
SCHEMBL7455602 0.64 ALDH1A1 (0.43) TSHRHSD17B10KMT2AALDH1A1LMNA
SCHEMBL18851084 0.62 TOP2A (0.38) TSHRHSD17B10KMT2AALDH1A1MEN1
SCHEMBL14446910 0.62 HSD17B10 (0.40) TSHRHSD17B10KMT2AALDH1A1LMNA
SCHEMBL1122732 0.61 KDM4E (0.62) KMT2AALDH1A1MAPK1MEN1KDM4E
SCHEMBL5383922 0.60 KMT2A (0.45) TSHRHSD17B10KMT2AALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156811-A1 Process for the Preparation of Bosentan DIPHARMA FRANCIS S.R.L. (IT) 2009-06-18 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-20090156811-A1 Process for the Preparation of Bosentan PAH, HBB, HBZ TSHR 1453/4885HSD17B10 1031/4885KMT2A 1928/4885

“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.