SCHEMBL6502129

SCHEMBL6502129

CCc1cc(C=C(NC(C)=O)C(=O)O)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ AKR1C3 P42330 3/20 0.34
▸ AKR1C2 P52895 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ AKR1B10 O60218 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 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
SCHEMBL6502128 1.00 MEN1 (0.39) MEN1KMT2AMCL1RECQLMAPT
SCHEMBL6501024 1.00 MEN1 (0.39) MEN1KMT2AMCL1RECQLMAPT
SCHEMBL4801786 0.82 MCL1 (0.46) MEN1KMT2AMCL1RECQLMAPT
SCHEMBL4801779 0.82 MCL1 (0.46) MEN1KMT2AMCL1RECQLMAPT
SCHEMBL7061481 0.81 MEN1 (0.53) MEN1KMT2AMCL1RECQLALDH1A1
SCHEMBL7061484 0.81 MEN1 (0.53) MEN1KMT2AMCL1RECQLALDH1A1
SCHEMBL6504751 0.80 RECQL (0.37) MEN1KMT2AMCL1RECQLMAPT
SCHEMBL6504757 0.80 RECQL (0.37) MEN1KMT2AMCL1RECQLMAPT
SCHEMBL6504761 0.80 RECQL (0.37) MEN1KMT2AMCL1RECQLMAPT
SCHEMBL13825252 0.79 SRC (0.40) MEN1KMT2AMCL1RECQLMAPT

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-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 — — US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 — — WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 — — WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 — — US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 — — 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 (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-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D MEN1 1392/4885KMT2A 2889/4885MCL1 1313/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D MEN1 1392/4885KMT2A 2889/4885MCL1 1313/4885

“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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