SCHEMBL1837779

SCHEMBL1837779

CC(C)CC1(C(=O)O)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
MME P08473 8/20 0.42
LTA4H P09960 1/20 0.35
FFAR3 O14843 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CETP P11597 1/20 0.31
TBXAS1 P24557 1/20 0.31

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
SCHEMBL5512489 0.98 CYP2C19 (0.54) CYP2C19MMELTA4HFFAR3CETP
SCHEMBL12308361 0.95 CYP2C19 (0.45) CYP2C19MMELTA4HFFAR3
SCHEMBL10900629 0.91 CYP2C19 (0.38) CYP2C19MMEFFAR3
SCHEMBL13278351 0.81 CYP2D6 (0.39) CYP2C19FFAR3
SCHEMBL5513384 0.81 ALDH1A1 (0.38) CYP2C19FFAR3
SCHEMBL14417093 0.80 CYP2C19 (0.39) CYP2C19MMELTA4HCYP4F2CYP4A11
SCHEMBL6623132 0.79 CYP2C19 (0.44) CYP2C19MMELTA4H
SCHEMBL7367112 0.79 CYP2C19 (0.37) CYP2C19MMELTA4HCETP
SCHEMBL11381051 0.78 CYP2C19 (0.38) CYP2C19MMELTA4HCYP4F2CYP4A11
SCHEMBL8847977 0.78 CYP2C19 (0.38) CYP2C19MMELTA4HCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 US disclosed
US-9682971-B2 1,2,5-Substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-8563742-B2 Substituted aminothiazole derivatives, pharmaceutical compositions, and methods of use HIGH POINT PHARMACEUTICALS, LLC (US) 2013-10-22 US disclosed
US-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. 2012-02-16 US disclosed
EP-2320738-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TransTech Pharma, Inc. (US) 2011-05-18 EP disclosed
US-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use VTVX HOLDINGS I LLC 2010-03-04 US disclosed
WO-2010025142-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2010-03-04 WO disclosed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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 (5 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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL CYP2C19 4282/4885MME 386/4885LTA4H 2276/4885
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 CYP2C19 1504/4885MME 3487/4885LTA4H 6/4885
US-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use MC4R, MC3R, MC5R CYP2C19 1351/4885MME 212/4885LTA4H 2494/4885
US-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS HTR4, HTR1A, HTR3B CYP2C19 1050/4885MME 2361/4885LTA4H 480/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 CYP2C19 1504/4885MME 3487/4885LTA4H 6/4885

“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.