SCHEMBL10317501

SCHEMBL10317501

COc1cc(C(=O)O)cc(OC)c1C(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA4 P22748 2/20 0.60
CA6 P23280 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
PKM P14618 2/20 0.60
CA3 P07451 1/20 0.60
CA5A P35218 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
PTGS2 P35354 1/20 0.56
TPMT P51580 2/20 0.53
HTT P42858 2/20 0.50
CNR2 P34972 1/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 3/20 0.46

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
SCHEMBL4576605 0.82 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL11774612 0.79 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL31556009 0.78 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL8350902 0.78 TPMT (0.59) CA12CA1CA2CA4CA6
SCHEMBL19438706 0.78 CA1 (0.67) CA12CA1CA2CA4CA6
SCHEMBL28857298 0.75 CA1 (0.69) CA12CA1CA2CA4CA6
SCHEMBL668540 0.75 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL9515990 0.75 CA1 (0.69) CA12CA1CA2CA4CA6
Syringic Acid SCHEMBL27602358 0.75 CA12 (1.00) CA12CA1CA2CA4CA6
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.75 TPMT (0.78) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481725-B1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-03-04 EP disclosed
US-8815920-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-08-26 US disclosed
US-8815920-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-08-26 US disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
EP-2481725-A1 SUBSTITUTED AMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-08-01 EP disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
WO-2011037192-A1 SUBSTITUTED AMIDE COMPOUND アステラス製薬株式会社 (JP) 2011-03-31 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-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 CA12 1544/4885CA1 1167/4885CA2 685/4885
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 CA12 1554/4885CA1 1246/4885CA2 663/4885

“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.