SCHEMBL893399

SCHEMBL893399

C=CP(=O)(C=C)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
METAP1 P53582 2/20 0.35
HSD11B1 P28845 3/20 0.33
CA12 O43570 1/20 0.32
MMP2 P08253 1/20 0.32
MGLL Q99685 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IKBKB O14920 1/20 0.31
ACHE P22303 2/20 0.31
PAX8 Q06710 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL2735742 0.80 ALOX15 (0.38) ALOX15TSHR
SCHEMBL23732406 0.76 CYP2A6 (0.38) TGM2ALOX15TSHRCA12MMP2
SCHEMBL894129 0.75 TSHR (0.60) ALOX15TSHRSMN1; SMN2CA2
SCHEMBL2208649 0.71 CA1 (0.46) TGM2ALOX15TSHRMETAP1CA12
SCHEMBL9927352 0.71 CES2 (0.39) CA12MMP2CES2CES1ACHE
SCHEMBL779999 0.71 CES2 (0.39) CA12MMP2CES2CES1ACHE
SCHEMBL2634683 0.70 ALDH1A1 (0.43) TGM2METAP1CA12MMP2CES2
SCHEMBL2735743 0.70 ALOX15 (0.48) ALOX15TSHRCA2
SCHEMBL28431617 0.69 CES2 (0.38) CA12MMP2MGLLCES2CES1
SCHEMBL29080987 0.69 CES2 (0.38) CA12MMP2MGLLCES2CES1

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 11 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
CN-101421269-A Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS INC (US) 2009-04-29 CN disclosed
EP-1981888-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF Pharmacyclics, Inc. (US) 2008-10-22 EP disclosed
WO-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 WO 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

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 TGM2 1319/4885ALOX15 3581/4885TSHR 2700/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC TGM2 1319/4885ALOX15 3581/4885TSHR 2700/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC TGM2 1319/4885ALOX15 3581/4885TSHR 2700/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC TGM2 1319/4885ALOX15 3581/4885TSHR 2700/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC TGM2 1319/4885ALOX15 3581/4885TSHR 2700/4885

“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.