SCHEMBL14657296

SCHEMBL14657296

C/C(N)=C(/C(=O)O)C(=O)CCl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
LDHA P00338 1/20 0.30
LDHB P07195 1/20 0.30

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
SCHEMBL28651759 1.00 TSHR (0.35) TSHRLMNAALOX15BLMPMP22
SCHEMBL14638267 1.00 TSHR (0.35) TSHRLMNAALOX15BLMPMP22
SCHEMBL2237340 0.76 LMNA (0.47) TSHRLMNAALOX15BLMPMP22
SCHEMBL6206612 0.74 CES1 (0.48) TSHRALOX15
SCHEMBL6206987 0.71 CES1 (0.52) TSHRALOX15
SCHEMBL18424789 0.71 LMNA (0.41) TSHRLMNAALOX15BLMPMP22
SCHEMBL11229973 0.71 LMNA (0.41) TSHRLMNAALOX15BLMPMP22
SCHEMBL11229978 0.71 LMNA (0.41) TSHRLMNAALOX15BLMPMP22
Chloroacetic Acid SCHEMBL5237087 0.68
SCHEMBL15148211 0.67 LMNA (0.37) LMNAALOX15BLMPMP22LDHA

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-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 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-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TSHR 4224/4885LMNA 1475/4885ALOX15 1896/4885

“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.