SCHEMBL8277232

SCHEMBL8277232

CS(=O)(=O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.65
ESR2 Q92731 5/20 0.65
PKM P14618 1/20 0.61
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ABHD6 Q9BV23 2/20 0.44
SLC6A9 P48067 8/20 0.43
SLC6A5 Q9Y345 3/20 0.43
PNMT P11086 1/20 0.43

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
SCHEMBL2993408 0.89 ESR1 (0.68) ESR1ESR2PKMCA12CA1
SCHEMBL11477876 0.88 ESR1 (0.67) ESR1ESR2PKMCA12CA1
Dimethylamine SCHEMBL6529354 0.87 ESR1 (0.62) ESR1ESR2PKMCA12CA1
SCHEMBL490066 0.87 ESR1 (0.65) ESR1ESR2PKMCA12CA1
SCHEMBL20681402 0.87 ESR1 (0.65) ESR1ESR2PKMCA12CA1
SCHEMBL30770403 0.87 ESR1 (0.65) ESR1ESR2PKMCA12CA1
SCHEMBL30408119 0.87 ESR1 (0.65) ESR1ESR2PKMCA12CA1
SCHEMBL6297841 0.86 ESR1 (0.61) ESR1ESR2PKMCA12CA1
SCHEMBL10154278 0.86 ESR1 (0.61) ESR1ESR2PKMCA12CA1
SCHEMBL1487369 0.84 ESR1 (0.58) ESR1ESR2PKMCA12CA1

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-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
EP-1214292-B1 TYROSINE DERIVATIVES GENENTECH INC (US) 2007-06-13 EP disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 ESR1 2963/4885ESR2 2413/4885PKM 2911/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B ESR1 3392/4885ESR2 1740/4885PKM 4789/4885

“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.