SCHEMBL242551

SCHEMBL242551

c1ccc(P(c2ccccc2)c2cccc3c2NC(c2cccc4ccccc24)CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.43
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM1A O60341 1/20 0.33
IDO1 P14902 2/20 0.32
MTNR1A P48039 1/20 0.32
CYP11B2 P19099 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
PLA2G6 O60733 3/20 0.30
MAPK1 P28482 2/20 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
SCHEMBL239601 0.82 TOP1 (0.51) TOP1CYP11B2CYP3A4
SCHEMBL238687 0.75 TOP1 (0.38) TOP1ALDH1A1CYP3A4
SCHEMBL28905026 0.74 AR (0.42) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL238382 0.74 CYP2C9 (0.37) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL29556500 0.71 TOP1 (0.36) TOP1
SCHEMBL242056 0.69 TOP1 (0.37) TOP1KDM1A
SCHEMBL241702 0.69 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL7569519 0.67 CYP3A4 (0.48) CYP1A2CYP2C9CYP2C19HIF1AALDH1A1
SCHEMBL30170447 0.67 CYP3A4 (0.48) CYP1A2CYP2C9CYP2C19HIF1AALDH1A1
SCHEMBL132132 0.67 CYP3A4 (0.48) CYP1A2CYP2C9CYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076524-B1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2016-04-20 EP disclosed
EP-2076524-B1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2016-04-20 EP disclosed
US-8735583-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED CO. (GB) 2014-05-27 US disclosed
US-8735583-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED CO. (GB) 2014-05-27 US disclosed
US-8735583-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED CO. (GB) 2014-05-27 US disclosed
US-20130150583-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-13 US disclosed
US-20130150583-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-13 US disclosed
US-20130150583-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-13 US disclosed
US-8404843-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-03-26 US disclosed
US-8404843-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-03-26 US disclosed
US-8222415-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-07-17 US disclosed
US-20120004411-A9 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2012-01-05 US disclosed
US-20120004411-A9 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2012-01-05 US disclosed
US-20120004411-A9 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2012-01-05 US disclosed
US-20100240898-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2010-09-23 US disclosed
US-20100240898-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2010-09-23 US disclosed
US-20100240898-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2010-09-23 US disclosed
EP-2076524-A1 CHIRAL PHOSPHORUS COMPOUND Johnson Matthey Public Limited Company (GB) 2009-07-08 EP disclosed
WO-2008041029-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2008-04-10 WO disclosed
WO-2008041029-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2008-04-10 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 (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-20120004411-A9 CHIRAL PHOSPHORUS COMPOUND PIK3CA, RECQL, P2RY1 TOP1 528/4885CYP1A2 915/4885CYP2D6 2081/4885
US-20100240898-A1 CHIRAL PHOSPHORUS COMPOUND PIK3CA, RECQL, P2RY1 TOP1 528/4885CYP1A2 915/4885CYP2D6 2081/4885
US-20130150583-A1 CHIRAL PHOSPHORUS COMPOUND ALPP, PTH1R, CALCR TOP1 1602/4885CYP1A2 2271/4885CYP2D6 3285/4885

“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.