Sugi Predict

Sugi Predict / Compounds / Hexane

Hexane

Hexane

SCHEMBL2960141

CCC(CCCCCC(C(CC)C(=O)O)(C(CC)C(=O)O)C(CC)C(=O)O)C(=O)O.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ GRIK1 P39086 2/20 0.47
▸ GRIK2 Q13002 2/20 0.47
▸ SLC1A2 P43004 2/20 0.45
▸ SLC1A1 P43005 2/20 0.45
▸ HSPD1 P10809 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HSPE1 P61604 1/20 0.44
▸ GPR84 Q9NQS5 4/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ ZDHHC20 Q5W0Z9 1/20 0.42
▸ ZDHHC2 Q9UIJ5 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
Hexane SCHEMBL8254898 1.00 CA2 (0.58) CA2MAPK1GRIK1GRIK2SLC1A2
Heptane SCHEMBL6382814 0.88 HSPD1 (0.45) CA2MAPK1HSPD1BLMHSPE1
Hexane SCHEMBL6852164 0.87 HSPD1 (0.42) CA2MAPK1HSPD1BLMHSPE1
Hexane SCHEMBL5727025 0.87 HSPD1 (0.42) CA2MAPK1HSPD1BLMHSPE1
SCHEMBL17329112 0.83 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL3003696 0.83 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
Hexane SCHEMBL18237384 0.83 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL167273 0.83 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL2492860 0.83 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL1704587 0.83 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367711-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-09-20 — — US disclosed
US-8252825-B2 Angiotensin II receptor antagonists NICOX (IT) 2012-08-28 — — US disclosed
US-8207208-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-06-26 — — US disclosed
US-20110065765-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2011-03-17 — — US disclosed
US-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-12-09 — — US disclosed
US-20100273845-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-10-28 — — US disclosed
EP-2225225-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-09-08 — — EP disclosed
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO INC. (US) 2010-06-17 — — US disclosed
EP-2121665-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS Merck and Co., Inc. (US) 2009-11-25 — — EP disclosed
WO-2009140111-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-11-19 — — WO disclosed
WO-2009070241-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-06-04 — — WO disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 — — US disclosed
WO-2008076246-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-26 — — WO disclosed
WO-2008076247-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-26 — — WO disclosed
EP-1724270-A2 Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents Pfizer Italia S.r.l. (IT) 2006-11-22 — — EP disclosed
EP-1406899-B1 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2006-11-15 — — EP disclosed
US-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents PFIZER ITALIA S.R.I. (IT) 2004-11-25 — — 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 (7 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-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, AGT CA2 491/4885MAPK1 2001/4885GRIK1 1132/4885
US-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN CA2 86/4885MAPK1 703/4885GRIK1 1025/4885
US-20100273845-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, REN CA2 140/4885MAPK1 1037/4885GRIK1 1001/4885
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN CA2 142/4885MAPK1 599/4885GRIK1 1030/4885
US-20110065765-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN CA2 144/4885MAPK1 668/4885GRIK1 902/4885
US-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents CDK2, CDK1, CDKN1A CA2 1460/4885MAPK1 38/4885GRIK1 2016/4885
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN CA2 70/4885MAPK1 616/4885GRIK1 971/4885

“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.