SCHEMBL6507336

SCHEMBL6507336

O=C(OCC=S)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.50
F2 P00734 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
TK1 P04183 1/20 0.46

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
SCHEMBL8522570 0.83 TDP1 (0.61) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL8078151 0.83 TDP1 (0.61) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL8522569 0.83 TDP1 (0.61) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL6276758 0.83 TDP1 (0.61) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL1030901 0.82 TDP1 (0.59) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL194890 0.82 TDP1 (0.59) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL1219383 0.80 LMNA (0.58) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL11673722 0.80 TDP1 (0.57) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28343462 0.80 CYP3A4 (0.69) TDP1MAPK1HIF1ASLC6A2SLC6A3
Benzene SCHEMBL28207781 0.80 CYP3A4 (0.69) TDP1MAPK1HIF1ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103201262-B Autotaxin inhibitors and application thereof AMIRA PHARMACEUTICALS, INC. (US) 2016-06-01 CN disclosed
CN-103201262-A Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS INC 2013-07-10 CN disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 TDP1 3398/4885MAPK1 4/4885HIF1A 304/4885

“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.