SCHEMBL6049299

SCHEMBL6049299

COCOc1cc(Br)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 2/20 0.44
HIF1A Q16665 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
CFD P00746 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 1/20 0.42
EGFR P00533 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CLCN2 P51788 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
MAPT P10636 1/20 0.41
MYC P01106 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
SCHEMBL30943166 0.87 PTGDR2 (0.51) PTGDR2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4207937 0.87 PTGDR2 (0.51) PTGDR2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL21046515 0.86 TDP1 (0.47) PTGDR2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL15417960 0.84 KDM4E (0.51) PTGDR2AKR1C3AKR1C2CFDCYP2C9
SCHEMBL23320362 0.84 PTGDR2 (0.56) PTGDR2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL4584625 0.83 TSHR (0.60) PTGDR2CYP3A4TSHRAKR1C2CFD
SCHEMBL4103072 0.82 MAPT (0.52) CYP3A4CYP2D6CYP2C19TSHRAKR1C3
SCHEMBL15897832 0.81 PTGDR2 (0.49) PTGDR2TSHRAKR1C3AKR1C2ALDH1A1
SCHEMBL342690 0.81 ALDH1A1 (0.62) CYP2C19AKR1C3AKR1C2CFDCYP2C9
SCHEMBL23291535 0.81 MAPT (0.44) PTGDR2CYP3A4CYP2D6CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2006-11-23 US disclosed
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-10-30 US disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 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 (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-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 PTGDR2 71/4885CYP3A4 995/4885CYP2D6 893/4885
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 PTGDR2 71/4885CYP3A4 995/4885CYP2D6 893/4885

“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.