SCHEMBL6966883

SCHEMBL6966883

O=C(c1ccc(O)cc1)c1ccsc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 2/20 0.62
HPGD P15428 2/20 0.62
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
PKM P14618 1/20 0.62
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
SRD5A2 P31213 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
DAO P14920 1/20 0.54
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CA2 P00918 3/20 0.45

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
SCHEMBL2166098 0.87 CES2 (0.71) LMNAMAPTHTTHPGDESR1
SCHEMBL31612030 0.82 CES2 (0.54) LMNAMAPTHTTHPGDESR1
SCHEMBL10369523 0.82 ALDH1A1 (0.64) LMNAMAPTHTTHPGDPKM
SCHEMBL17100305 0.82 CES2 (0.54) LMNAMAPTHPGDCES2CES1
SCHEMBL6956689 0.82 CES2 (0.54) LMNAMAPTHPGDCES2CES1
SCHEMBL20448559 0.82 SRD5A2 (0.55) MAPTHPGDCES2CES1SRD5A2
SCHEMBL838599 0.81 LCK (0.61) LMNAMAPTHPGDCES2CES1
Oxalic Acid SCHEMBL6968596 0.80 LCK (0.67) HTTHPGDCES2CES1SRD5A2
SCHEMBL699850 0.79 LMNA (1.00) LMNAMAPTHTTHPGDESR1
SCHEMBL18423 0.79 LMNA (1.00) LMNAMAPTHTTHPGDESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 LMNA 2237/4885MAPT 23/4885HTT 292/4885

“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.