SCHEMBL2918534

SCHEMBL2918534

O=C(NO)C(CC(O)CCc1ccccc1)C1(O)CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MMP8 P22894 4/20 0.43
CCR1 P32246 1/20 0.39
ANPEP P15144 2/20 0.39
DPP4 P27487 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4061216 0.88 TSHR (0.50) TSHRMMP8ANPEPDPP4
SCHEMBL2675825 0.81 CCR1 (0.38) TSHRMMP8CCR1ANPEPHDAC8
SCHEMBL2675864 0.81 CCR1 (0.38) TSHRMMP8CCR1ANPEPHDAC8
SCHEMBL2675868 0.80 CCR1 (0.48) MMP8CCR1ANPEPHDAC8
SCHEMBL2675827 0.80 CCR1 (0.48) MMP8CCR1ANPEPHDAC8
SCHEMBL6879395 0.69 TSHR (0.67) TSHRMMP8HDAC8
SCHEMBL4068030 0.68 MMP2 (0.46) MMP8CCR1ANPEP
SCHEMBL4072351 0.68 MMP1 (0.37) TSHRMMP8CCR1ANPEP
SCHEMBL8256096 0.68 TSHR (1.00) TSHRMMP8ANPEPHDAC8
SCHEMBL4072357 0.68 CCR1 (0.46) MMP8CCR1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404302-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING ADSORBATES OF AMORPHOUS DRUG PFIZER PROD INC (US) 2010-11-03 EP claimed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US claimed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP claimed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO claimed
US-8257739-B2 low-solubility drug (especially CCR-1 inhibitors) and a concentration-enhancing polymer; drug-rich regions are interspersed throughout drug-poor, polymer-rich regions; storage stability BEND RESEARCH, INC. (US) 2012-09-04 US disclosed
EP-1404302-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING ADSORBATES OF AMORPHOUS DRUG PFIZER PROD INC (US) 2010-11-03 EP disclosed
EP-1399190-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING LOW-SOLUBILITY AND ACID-SENSITIVE DRUGS AND NEUTRALIZED ACIDIC POLYMERS BEND RES INC (US) 2010-09-08 EP disclosed
EP-2111856-A2 Pharmaceutical compositions of semi-ordered drugs and polymers Pfizer Products Inc. (US) 2009-10-28 EP disclosed
EP-1401503-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING A SOLID DISPERSION OF A POORLY-SOLUBLE DRUG AND A SOLUBILITY-ENHANCING POLYMER PFIZER PROD INC (US) 2007-05-09 EP disclosed
US-20040156905-A1 Pharmaceutical compositions of semi-ordered drugs and polymers PFIZER INC. 2004-08-12 US disclosed
US-20030104063-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers LONZA BEND INC. 2003-06-05 US disclosed
US-20030072801-A1 Pharmaceutical compositions comprising drug and concentration-enhancing polymers PFIZER INC. 2003-04-17 US disclosed
US-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers BEND RESEARCH, INC. 2003-03-20 US disclosed
EP-1269994-A2 Pharmaceutical compositions comprising drug and concentration-enhancing polymers Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 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 (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-20030072801-A1 Pharmaceutical compositions comprising drug and concentration-enhancing polymers ABCB1, ABCG2, CYP3A7 TSHR 4833/4885MMP8 2526/4885CCR1 1504/4885
US-20030104063-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers ABCG2, ABCB1, MATR3 TSHR 4702/4885MMP8 2775/4885CCR1 3503/4885
US-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers PDE7A, CA6, PDE9A TSHR 3687/4885MMP8 1594/4885CCR1 1188/4885
US-20040156905-A1 Pharmaceutical compositions of semi-ordered drugs and polymers ABCB1, ABCG2, PDE7A TSHR 4366/4885MMP8 3620/4885CCR1 1295/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 TSHR 1211/4885MMP8 3590/4885CCR1 21/4885

“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.