SCHEMBL894263

SCHEMBL894263

O=P(O)(O)C(Cl)(Cl)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 4/20 0.55
PGK2 P07205 4/20 0.55
CA12 O43570 1/20 0.42
MMP2 P08253 1/20 0.42
KCNN4 O15554 3/20 0.42
PTPN1 P18031 5/20 0.39
PTPN5 P54829 2/20 0.38
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11773996 0.80 PGK1 (0.57) PGK1PGK2CA12MMP2PTPN5
SCHEMBL2150771 0.77 PGK1 (0.72) PGK1PGK2CA12PTPN1PTPN5
SCHEMBL14066332 0.77 PGK1 (0.50) PGK1PGK2CA12MMP2KCNN4
SCHEMBL779191 0.74 PGK1 (0.46) PGK1PGK2CA12MMP2KCNN4
SCHEMBL17923871 0.74 PGK1 (0.46) PGK1PGK2CA12MMP2KCNN4
SCHEMBL777447 0.72 PGK1 (0.50) PGK1PGK2CA12MMP2KCNN4
SCHEMBL2030739 0.72 CA1 (0.49) PGK1PGK2CA12MMP2
SCHEMBL16238863 0.71 PGK1 (0.52) PGK1PGK2PTPN1RAB9A
SCHEMBL11772268 0.71 PGK1 (0.62) PGK1PGK2PTPN1PTPN5RAB9A
SCHEMBL11100390 0.70 MAPK1 (0.65) KCNN4USP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
EP-1981888-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF Pharmacyclics, Inc. (US) 2008-10-22 EP disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 US disclosed
WO-2007087068-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2007-08-02 WO disclosed
WO-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 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 (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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC PGK1 578/4885PGK2 431/4885CA12 4381/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC PGK1 578/4885PGK2 431/4885CA12 4381/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC PGK1 578/4885PGK2 431/4885CA12 4381/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC PGK1 578/4885PGK2 431/4885CA12 4381/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC PGK1 578/4885PGK2 431/4885CA12 4381/4885

“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.