SCHEMBL6159348

SCHEMBL6159348

COC(=O)c1ccc(CSC2CCC(=O)N2Cc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.53
HCRTR2 O43614 5/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
LTA4H P09960 4/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FAAH O00519 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
PTGS1 P23219 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
SCHEMBL6159419 0.89 LTA4H (0.51) HCRTR1HCRTR2KMT2ALTA4HHDAC1
SCHEMBL6159008 0.80 HCRTR1 (0.55) HCRTR1HCRTR2KMT2ALTA4HHDAC1
SCHEMBL6159473 0.80 HCRTR1 (0.53) HCRTR1HCRTR2KMT2AALDH1A1TSHR
SCHEMBL6158533 0.79 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1HPGDLTA4H
SCHEMBL6159396 0.79 HCRTR1 (0.56) HCRTR1HCRTR2MEN1KMT2AHDAC1
SCHEMBL6157202 0.78 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1LTA4HHDAC1
SCHEMBL6157409 0.78 HCRTR1 (0.50) HCRTR1HCRTR2KMT2ATSHRLTA4H
SCHEMBL6158510 0.78 HCRTR1 (0.52) HCRTR1HCRTR2KMT2ATSHRLTA4H
SCHEMBL6157789 0.78 HCRTR2 (0.54) HCRTR1HCRTR2KMT2ATSHRLTA4H
SCHEMBL6162062 0.77 HCRTR1 (0.56) HCRTR1HCRTR2LTA4HHDAC1HDAC6

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 HCRTR1 1949/4885HCRTR2 1842/4885MEN1 3957/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 HCRTR1 1930/4885HCRTR2 1754/4885MEN1 3906/4885

“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.