SCHEMBL623728

SCHEMBL623728

CC1(C)OC(=O)C(=C(O)Cc2ccc(Cl)cc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
ACP1 P24666 2/20 0.45
CDC25B P30305 2/20 0.45
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTBP2 P56545 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
HSD11B1 P28845 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
SCHEMBL319410 0.87 PTPN1 (0.50) PTPN1ACP1CDC25BALDH1A1L3MBTL1
SCHEMBL13092494 0.85 PTPN1 (0.50) PTPN1ACP1CDC25BALDH1A1LMNA
SCHEMBL19386460 0.78 MIF (0.49) PTPN1ACP1CDC25BALDH1A1LMNA
SCHEMBL25253304 0.77 PTPN1 (0.44) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL21061683 0.74 KMT2A (0.41) PTPN1ACP1CDC25BALDH1A1L3MBTL1
SCHEMBL17748526 0.72 PTPN1 (0.56) PTPN1ACP1CDC25BALDH1A1L3MBTL1
SCHEMBL19439458 0.72 MEN1 (0.47) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL29364967 0.72 MEN1 (0.47) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL3297163 0.71 PTPN1 (0.55) PTPN1ACP1CDC25BALDH1A1L3MBTL1
SCHEMBL25353819 0.71 L3MBTL1 (0.40) ALDH1A1L3MBTL1CTBP2NPC1RAB9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
EP-2603214-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO 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 (4 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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PTPN1 996/4885ACP1 2523/4885CDC25B 294/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PTPN1 996/4885ACP1 2523/4885CDC25B 294/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PTPN1 854/4885ACP1 2572/4885CDC25B 293/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PTPN1 854/4885ACP1 2572/4885CDC25B 293/4885

“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.