SCHEMBL14710753

SCHEMBL14710753

COC(=O)C1(c2ccc(-c3ccc(-c4nonc4NC(=O)OC(C)(C)C)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.37
PSMB8 P28062 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT3 P40763 2/20 0.36
STAT1 P42224 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
CYP17A1 P05093 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL14790554 0.90 LPAR1 (0.48) LPAR1TSHRMAPTTP53THRB
SCHEMBL14710788 0.80 LPAR1 (0.59) LPAR1TSHRLPAR3
SCHEMBL14710823 0.78 TSHR (0.48) TSHRMAPTTP53THRBPSMB8
SCHEMBL14710786 0.78 TSHR (0.48) TSHRMAPTTP53THRBPSMB8
SCHEMBL14790552 0.78 MAPT (0.54) TSHRMAPTTP53THRBMEN1
SCHEMBL14710807 0.77 HRH3 (0.39) LPAR1LPAR3
SCHEMBL14710784 0.74 TSHR (0.44) TSHRMAPTTP53THRBMEN1
SCHEMBL16697189 0.73 LPAR1 (0.84) LPAR1LPAR3
SCHEMBL1246580 0.72 LPAR1 (0.56) LPAR1MAPTLPAR3
SCHEMBL28305062 0.72 MAPT (0.46) MAPTPSMB8MEN1KMT2ASMN1; SMN2

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-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
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 LPAR1 1/4885TSHR 449/4885MAPT 4564/4885

“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.