SCHEMBL6159065

SCHEMBL6159065

O=C1C[C@@H](O)CN1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP2 P08253 2/20 0.43
EGLN1 Q9GZT9 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
S1PR5 Q9H228 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
LTA4H P09960 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL6157539 1.00 HPGD (0.50) HPGDTSHRHTTSMN1; SMN2HCRTR1
SCHEMBL6157546 1.00 HPGD (0.50) HPGDTSHRHTTSMN1; SMN2HCRTR1
SCHEMBL6162343 0.89 S1PR5 (0.52) HPGDTSHRHTTSMN1; SMN2MMP2
SCHEMBL6162336 0.89 S1PR5 (0.52) HPGDTSHRHTTSMN1; SMN2MMP2
SCHEMBL6161609 0.88 HTT (0.58) HTTSMN1; SMN2MMP2MMP1MMP3
SCHEMBL6158399 0.88 SMN1; SMN2 (0.58) HTTSMN1; SMN2EGLN1
SCHEMBL4922166 0.87 HPGD (0.64) HPGDTSHRHTTSMN1; SMN2PDE4A
SCHEMBL4925533 0.87 HPGD (0.64) HPGDTSHRHTTSMN1; SMN2PDE4A
SCHEMBL4922178 0.87 HPGD (0.64) HPGDTSHRHTTSMN1; SMN2PDE4A
SCHEMBL31190825 0.87 HPGD (0.64) HPGDTSHRHTTSMN1; SMN2PDE4A

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-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP 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 (2 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 HPGD 887/4885TSHR 1971/4885HTT 1420/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 HPGD 793/4885TSHR 1888/4885HTT 1459/4885

“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.