SCHEMBL11295038

SCHEMBL11295038

Cc1onc(C(C)C)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 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
SCHEMBL104897 0.77 GAA (0.50) GAA
SCHEMBL12205812 0.75
SCHEMBL18057555 0.73 GAA (0.34) GAA
SCHEMBL22698222 0.73 MLYCD (0.32)
SCHEMBL29280994 0.73 MAP4K4 (0.35) GAA
SCHEMBL23791534 0.73
SCHEMBL18926032 0.71
SCHEMBL17761929 0.70 S1PR1 (0.33)
SCHEMBL19418897 0.70 NPSR1 (0.34) GAA
SCHEMBL15912370 0.70 GAA (0.32) GAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20210380578-A1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-12-09 US disclosed
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2017-10-26 US disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-7998987-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-16 US disclosed
US-7855214-B2 Fused cyclic systems useful as inhibitors of TEC family protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 US disclosed
US-20100190774-A1 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-29 US disclosed
US-7728017-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 US disclosed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 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 (12 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 GAA 957/4885
US-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 GAA 3939/4885
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 GAA 1013/4885
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 GAA 1909/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 GAA 957/4885
US-20210380578-A1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, GPBAR1 GAA 2825/4885
US-20100190774-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, ABL1 GAA 2407/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 GAA 394/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 GAA 957/4885
US-20230257396-A1 MACROCYCLES AND THEIR USE VHL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DLD GAA 520/4885
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARA, PPARD GAA 891/4885
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 GAA 1013/4885

“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.