SCHEMBL17833937

SCHEMBL17833937

COc1cccc(OC)c1P(=O)(CBr)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA4 P22748 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSD P07339 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL12667898 0.83 TSHR (0.36) TSHRHTTL3MBTL1CA12CA1
SCHEMBL20212468 0.83 TSHR (0.51) TSHRHTTL3MBTL1CA12CA1
SCHEMBL15715691 0.76 CA1 (0.42) TSHRHTTL3MBTL1CA12CA1
SCHEMBL12667894 0.76 CA1 (0.42) TSHRHTTL3MBTL1CA12CA1
SCHEMBL17833949 0.74 CA12 (0.37) TSHRHTTL3MBTL1CA12CA1
SCHEMBL9001590 0.71 CA1 (0.50) TSHRHTTL3MBTL1CA12CA1
SCHEMBL15711811 0.70 CYP3A4 (0.46) L3MBTL1CA12CA1CA2CA7
SCHEMBL15715192 0.67 CA12 (0.41) HTTL3MBTL1CA12CA1CA2
SCHEMBL19190586 0.67 PTPN5 (0.42) HTTL3MBTL1CA12CA1CA2
SCHEMBL11797004 0.66 CA1 (0.47) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362263-A1 PHOSPHORUS LIGANDS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 US disclosed
US-20170362263-A1 PHOSPHORUS LIGANDS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 US disclosed
US-20170362263-A1 PHOSPHORUS LIGANDS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 US disclosed
WO-2016094489-A1 PHOSPHORUS LIGANDS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-16 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 (1 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-20170362263-A1 PHOSPHORUS LIGANDS AND METHODS OF USE PNKP, PLCB3, PLCB1 TSHR 3628/4885HTT 4467/4885L3MBTL1 1785/4885

“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.