SCHEMBL6846568

SCHEMBL6846568

CC(C)(C)c1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 9/20 0.55
NR1H4 Q96RI1 1/20 0.53
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
SIRT2 Q8IXJ6 3/20 0.51
SIRT1 Q96EB6 3/20 0.51
SIRT3 Q9NTG7 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL6846921 0.87 GPR132 (0.51) GPR132TSHRMAPK1SIRT2SIRT1
SCHEMBL6841298 0.87 SIRT2 (0.49) NR1H4SIRT2SIRT1SIRT3SMN1; SMN2
SCHEMBL7495398 0.83 MAPK1 (0.53) GPR132TSHRMAPK1SIRT2SIRT1
SCHEMBL6844711 0.81 NR1H4 (0.53) NR1H4SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6846695 0.80 SIRT2 (0.45) NR1H4SIRT2SIRT1SIRT3SMN1; SMN2
SCHEMBL6841397 0.76 RAB9A (0.65) GPR132NR1H4SIRT2SIRT1SIRT3
SCHEMBL28058986 0.75 NR1H4 (0.71) GPR132NR1H4TSHRMAPK1SIRT2
SCHEMBL6846778 0.74 SIRT2 (0.46) NR1H4MAPK1SIRT2SIRT1SIRT3
SCHEMBL3154595 0.74 P2RY1 (0.67)
SCHEMBL6846707 0.74 GPR132 (0.60) GPR132TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA GPR132 1446/4885NR1H4 3220/4885TSHR 2259/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA GPR132 1446/4885NR1H4 3220/4885TSHR 2259/4885

“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.