SCHEMBL17586481

SCHEMBL17586481

O=C(NCc1ccc(N[SH](=O)=O)cc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ MTOR P42345 1/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PTPRZ1 P23471 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ CDK5 Q00535 1/20 0.37

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
SCHEMBL19296679 0.83 PIN1 (0.43) EPHX2NR1H4MTORCA1CA2
SCHEMBL5913235 0.80 EPHX2 (0.52) EPHX2NR1H4MTORCA1CA2
SCHEMBL7850276 0.80 RIPK1 (0.49) EPHX2NR1H4CA1CA2SMN1; SMN2
SCHEMBL21597900 0.79 EPHX2 (0.55) EPHX2NR1H4MTORSMN1; SMN2NAMPT
SCHEMBL2054822 0.78 EPHX2 (0.50) EPHX2NR1H4CA1CA2SMN1; SMN2
SCHEMBL506307 0.78 MTOR (0.54) EPHX2NR1H4MTORCA1CA2
SCHEMBL18417817 0.78 CA12 (0.54) EPHX2NR1H4CA1CA2SMN1; SMN2
SCHEMBL23254961 0.76 TPSAB1 (0.61) EPHX2NR1H4CA1CA2SMN1; SMN2
SCHEMBL16357712 0.76 HDAC6 (0.46) EPHX2NR1H4MTORCA1CA2
SCHEMBL1312566 0.76 EPHX2 (0.44) EPHX2NR1H4CA1CA2SMN1; SMN2

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-20230317700-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-10-05 — — US disclosed
US-20180208667-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2018-07-26 — — US disclosed
US-9879086-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. (CA) 2018-01-30 — — US disclosed
US-20170247408-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2017-08-31 — — US disclosed
US-20160075735-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2016-03-17 — — 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 (3 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-20160075735-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 EPHX2 2837/4885NR1H4 2936/4885MTOR 1922/4885
US-20170247408-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 EPHX2 2837/4885NR1H4 2936/4885MTOR 1922/4885
US-20180208667-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 EPHX2 2837/4885NR1H4 2936/4885MTOR 1922/4885

“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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