SCHEMBL6158312

SCHEMBL6158312

O=C1CC(O)CN1Cc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
DPP4 P27487 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4922166 0.87 HPGD (0.64) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL31190825 0.87 HPGD (0.64) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL4922178 0.87 HPGD (0.64) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL4925533 0.87 HPGD (0.64) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL6162246 0.84 HPGD (0.57) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL6162353 0.84 HPGD (0.57) HPGDTSHRSMN1; SMN2HTTNPC1
SCHEMBL6159389 0.83 HPGD (0.54) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL6159065 0.81 HPGD (0.50) HPGDTSHRSMN1; SMN2HTTDPP4
SCHEMBL6161961 0.81 HPGD (0.50) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL6157539 0.81 HPGD (0.50) HPGDTSHRSMN1; SMN2HTTDPP4

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 1971/4885SMN1; SMN2 3819/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 HPGD 793/4885TSHR 1888/4885SMN1; SMN2 3509/4885

“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.