SCHEMBL20016082

SCHEMBL20016082

O=C1C(S)=Cc2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
PARK7 Q99497 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CYP19A1 P11511 1/20 0.34
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33
ACHE P22303 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
GPR84 Q9NQS5 2/20 0.33
LRRK2 Q5S007 1/20 0.33
PDK2 Q15119 1/20 0.33
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32

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
SCHEMBL10560302 0.79 PTPN1 (0.43) PTPN1CA1CA2CA7CA9
SCHEMBL27741769 0.76 ALDH1A1 (0.39) PTPN1CA1CA2CA7CA9
SCHEMBL31288113 0.76 ALDH1A1 (0.39) PTPN1CA1CA2CA7CA9
SCHEMBL30423643 0.74 BACE1 (0.49) PTPN1PARK7CYP19A1KDM4E
SCHEMBL8597869 0.69 PTPRC (0.60) PTPN1CA1CA2CA7CA9
SCHEMBL27351247 0.69 PARK7 (0.34) PTPN1CA1CA2CA7CA9
SCHEMBL9811013 0.67 PTPN1 (0.37) PTPN1CA1CA2CA7CA9
SCHEMBL9328908 0.66 CA1 (0.52) PTPN1CA1CA2CA7CA9
SCHEMBL7432075 0.66 CA1 (0.52) PTPN1CA1CA2CA7CA9
SCHEMBL13487415 0.66 CA1 (0.52) PTPN1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2018-03-29 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-20180086775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, PPOX PTPN1 4363/4885CA1 4150/4885CA2 4509/4885

“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.