SCHEMBL835022

SCHEMBL835022

CS(=O)(=NC(=O)C(F)(F)F)c1ccc(CO[SiH3])cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.37
PTPRZ1 P23471 1/20 0.36
CA2 P00918 7/20 0.35
CA1 P00915 6/20 0.35
PTPN1 P18031 1/20 0.34
ADAMTS4 O75173 2/20 0.33
MMP13 P45452 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CNR1 P21554 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
SCHEMBL23145884 0.81 ATR (0.40) ATRCA2CA1KMT2AALDH1A1
SCHEMBL834724 0.81 ATR (0.33) ATRPTPRZ1CA2CA1PTPN1
SCHEMBL834774 0.80 IDO1 (0.46) CA2CA1CA12CA9ALDH1A1
SCHEMBL3467857 0.78 IDO1 (0.42) CA2CA1CA12CA9ALDH1A1
SCHEMBL18148609 0.76 F2 (0.42) ATRCA2CA1MMP13MMP1
SCHEMBL2303282 0.76 TSHR (0.44) ATRCA2CA1MMP13MMP1
SCHEMBL883462 0.76 TSHR (0.44) ATRCA2CA1MMP13MMP1
SCHEMBL19828503 0.73 CNR1 (0.36) ATRKMT2ACNR1
SCHEMBL10051833 0.72 HSD11B1 (0.50) CA2CA1MMP13MMP1MMP2
SCHEMBL2301608 0.72 HSD11B1 (0.50) CA2CA1MMP13MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 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 (2 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-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 ATR 700/4885PTPRZ1 613/4885CA2 751/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 ATR 890/4885PTPRZ1 189/4885CA2 2243/4885

“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.