SCHEMBL17397406

SCHEMBL17397406

CC(N(C(=O)O)c1nccs1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.42
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSPA5 P11021 3/20 0.36
HSPA9 P38646 2/20 0.36
NR3C1 P04150 4/20 0.35
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL1428355 0.83 FFAR2 (0.43) FFAR2LMNATSHRALDH1A1HSPA5
SCHEMBL2890584 0.73 ALDH1A1 (0.40) FFAR2LMNAALDH1A1NR3C1HTT
SCHEMBL1369612 0.73 USP30 (0.50) FFAR2LMNAALDH1A1NR3C1ALOX15
SCHEMBL7292836 0.73 USP30 (0.40) FFAR2ALDH1A1HSPA5HSPA9NR3C1
SCHEMBL7333182 0.73 USP30 (0.40) FFAR2ALDH1A1HSPA5HSPA9NR3C1
SCHEMBL2936251 0.71 FFAR2 (0.49) FFAR2LMNATSHRALDH1A1NR3C1
SCHEMBL9834300 0.70 ALDH1A1 (0.42) FFAR2LMNATSHRALDH1A1NR3C1
SCHEMBL16180417 0.70 LMNA (0.43) FFAR2LMNATSHRALDH1A1NR3C1
SCHEMBL17397408 0.69 TRPM8 (0.38) FFAR2LMNATSHRALDH1A1NR3C1
SCHEMBL18764698 0.68 ALDH1A1 (0.41) FFAR2LMNATSHRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137410-A1 FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF MEDIVATION TECHNOLOGIES, INC (US) 2017-05-18 US disclosed
WO-2016003827-A2 FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-01-07 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 (1 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-20170137410-A1 FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, DTYMK, TK1 FFAR2 3844/4885LMNA 4519/4885TSHR 4034/4885

“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.