SCHEMBL14710784

SCHEMBL14710784

CC(C)(C)OC(=O)Nc1nonc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
BCL2 P10415 2/20 0.43
BECN1 Q14457 2/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL14710823 0.83 TSHR (0.48) TSHRMAPTTHRBMEN1KMT2A
SCHEMBL14790552 0.83 MAPT (0.54) TSHRBCL2BECN1MAPTTHRB
SCHEMBL14710786 0.83 TSHR (0.48) TSHRMAPTTHRBMEN1KMT2A
SCHEMBL14790554 0.75 LPAR1 (0.48) TSHRMAPTTHRBMEN1KMT2A
SCHEMBL1532248 0.75 KMT2A (0.59) BCL2BECN1MAPTALDH1A1MAPK1
SCHEMBL14710753 0.74 LPAR1 (0.47) TSHRMAPTTHRBMEN1KMT2A
SCHEMBL26215427 0.72 BCL2 (0.40) BCL2BECN1MAPTALDH1A1MAPK1
SCHEMBL3026886 0.72 CHRM3 (0.53) BCL2BECN1MAPTALDH1A1MAPK1
SCHEMBL27930246 0.71 XDH (0.45) BCL2BECN1MAPTALDH1A1THRB
SCHEMBL6709729 0.70 MEN1 (0.51) TSHRMAPTALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TSHR 449/4885BCL2 3010/4885BECN1 3353/4885

“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.