SCHEMBL2631477

SCHEMBL2631477

CC(C)C(C)(C)c1cnco1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.31
PKM P14618 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
SCHEMBL683349 0.77
SCHEMBL18857346 0.73
SCHEMBL2616427 0.73 LMNA (0.33) CYP3A4LMNAPKM
SCHEMBL19274689 0.73
SCHEMBL13359772 0.70 CYP3A4 (0.33) CYP3A4LMNAPKM
SCHEMBL13180200 0.70 CYP3A4 (0.32) CYP3A4LMNAPKM
SCHEMBL6358216 0.67
SCHEMBL13094075 0.67 LMNA (0.32) LMNAPKM
SCHEMBL13094068 0.67 LMNA (0.32) LMNAPKM
SCHEMBL13010810 0.67 LMNA (0.32) LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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 (3 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-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CYP3A4 2687/4885LMNA 4876/4885PKM 3910/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 CYP3A4 2491/4885LMNA 4007/4885PKM 3734/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CYP3A4 2687/4885LMNA 4876/4885PKM 3910/4885

“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.