SCHEMBL636604

SCHEMBL636604

C[C@]1(C(=O)O)CC[C@H](O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.50
CYP2C19 P33261 4/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
MTOR P42345 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
STAT6 P42226 1/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APLNR P35414 1/20 0.34
GRM4 Q14833 6/20 0.32
GRM2 Q14416 2/20 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
SCHEMBL13556690 1.00 FFAR3 (0.50) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL709809 0.87 FFAR3 (0.46) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL11076963 0.87 FFAR3 (0.46) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL9042869 0.86 FFAR3 (0.62) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL5949421 0.86 FFAR3 (0.62) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL9042716 0.86 FFAR3 (0.62) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL25192322 0.80
SCHEMBL6845294 0.77 FFAR3 (0.50) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL17784089 0.77 MEN1 (0.35) FFAR3LMNANPSR1MEN1ALDH1A1
SCHEMBL11919621 0.77 MEN1 (0.35) FFAR3LMNANPSR1MEN1ALDH1A1

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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 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 (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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 FFAR3 4438/4885CYP2C19 2582/4885MAPK1 1662/4885

“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.