SCHEMBL12880107

SCHEMBL12880107

O=C1c2ccccc2C(=O)N1[C@H](COS(=O)(=O)C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SCN2A Q99250 1/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CASP1 P29466 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CASP4 P49662 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP9 P55211 1/20 0.35
▸ CASP6 P55212 1/20 0.35

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
SCHEMBL13108155 0.88 TDP1 (0.48) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL26241883 0.77 SCN2A (0.49) MEN1KMT2ASCN2ACA12CA1
SCHEMBL12880109 0.77 SCN2A (0.49) MEN1KMT2ASCN2ACA12CA1
SCHEMBL13026882 0.71 TDP1 (0.51) KMT2ATDP1GAAALDH1A1POLB
SCHEMBL13026902 0.71 TDP1 (0.51) KMT2ATDP1GAAALDH1A1POLB
SCHEMBL23601591 0.71 ALDH1A1 (0.72) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL10615422 0.71 ALDH1A1 (0.72) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL5912986 0.71 CA2 (0.62) MEN1KMT2ACA12CA1CA9
SCHEMBL12880112 0.70 KMT2A (0.41) MEN1KMT2ASCN2AALDH1A1POLB
SCHEMBL26241882 0.69 SCN2A (0.46) MEN1KMT2ASCN2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580467-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof E. R. SQUIBB & SONS, L.L.C. (US) 2017-02-28 — — US disclosed
US-9226974-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof E. R. SQUIBB & SONS, L.L.C. (US) 2016-01-05 — — US disclosed
US-20140323690-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF E. R. SQUIBB & SONS, L.L.C. 2014-10-30 — — US disclosed
EP-2461830-B1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX LLC (US) 2014-09-24 — — EP disclosed
US-8802632-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-08-12 — — US disclosed
US-8772543-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-07-08 — — US disclosed
US-8772542-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-07-08 — — US disclosed
US-20130204033-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-08-08 — — US disclosed
US-20130197259-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-08-01 — — US disclosed
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-07-25 — — US disclosed
US-8394922-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, INC. (US) 2013-03-12 — — US disclosed
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2011-02-03 — — 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 (5 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-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MEN1 333/4885KMT2A 2238/4885SCN2A 4716/4885
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MEN1 333/4885KMT2A 2238/4885SCN2A 4716/4885
US-20140323690-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MEN1 333/4885KMT2A 2238/4885SCN2A 4716/4885
US-20130197259-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MEN1 333/4885KMT2A 2238/4885SCN2A 4716/4885
US-20130204033-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MEN1 333/4885KMT2A 2238/4885SCN2A 4716/4885

“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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