SCHEMBL21662952

SCHEMBL21662952

O=S(=O)(Cc1ccc(Cl)c2c1sc1ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TNKS O95271 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL21662944 0.77 CA1 (0.36) TNKSTNKS2
SCHEMBL3641821 0.68 TNKS (0.33) MAPTTP53RXFP1KDM4EALDH1A1
SCHEMBL21862373 0.66 MAPT (0.40) MAPTTP53KDM4ETNKSTNKS2
SCHEMBL30052514 0.65 MAPT (0.48) MAPTTP53KDM4EALDH1A1
SCHEMBL21201214 0.65 MAPT (0.48) MAPTTP53KDM4EALDH1A1
SCHEMBL3636775 0.63 ALOX5 (0.43) MAPTKDM4EALDH1A1TNKSTNKS2
SCHEMBL22311238 0.63 PLK4 (0.43) MAPTKDM4ETNKSTNKS2
SCHEMBL27449995 0.63 GPR3 (0.40) MAPTKDM4EALDH1A1TNKSTNKS2
SCHEMBL30422223 0.63 ALOX5 (0.43) MAPTKDM4EALDH1A1TNKSTNKS2
SCHEMBL23111300 0.62 MAPT (0.43) MAPTTP53RXFP1KDM4E

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-20200039971-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-02-06 — — 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-20200039971-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, CYP1A1 MAPT 961/4885TP53 3162/4885RXFP1 4081/4885

“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.

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