SCHEMBL2675965

SCHEMBL2675965

NC(=O)C1CCC(O)([C@H](C[C@@H](O)[CH]Cc2ccccc2)C(=O)NO)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP8 P22894 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ANPEP P15144 1/20 0.32
MME P08473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LTB4R Q15722 1/20 0.32

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
SCHEMBL7590168 1.00 TSHR (0.36) TSHRGAASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL4064238 0.91 ANPEP (0.34) SMN1; SMN2KMT2AANPEP
SCHEMBL4063102 0.89 ANPEP (0.38) ANPEP
SCHEMBL4065712 0.89 SMN1; SMN2 (0.37) TSHRGAASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL7581837 0.89 SMN1; SMN2 (0.37) TSHRGAASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL4073406 0.88 VCP (0.35) ALDH1A1KMT2ATDP1
SCHEMBL4069604 0.87 SLC1A3 (0.33) MME
SCHEMBL4072970 0.87 SMYD3 (0.39) ALDH1A1
SCHEMBL4065393 0.87 KLK7 (0.35) MMP8ANPEPMME
SCHEMBL4059264 0.86 L3MBTL1 (0.35) SMN1; SMN2ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP claimed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US claimed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 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-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2016-12-29 US disclosed
US-9468604-B2 Pharmaceutical compositions of dispersions of drug and neutral polymers BEND RESEARCH, INC. (US) 2016-10-18 US disclosed
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2014-07-31 US disclosed
US-8703199-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
US-8703196-B2 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
US-8491933-B2 Pharmaceutical compositions of semi-ordered drugs and polymers BEND RESEARCH, INC. (US) 2013-07-23 US disclosed
US-8389006-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
WO-2003000235-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUGS AND NEUTRAL POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000292-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING LOW-SOLUBILITY AND/OR ACID-SENSITIVE DRUGS AND NEUTRALIZED ACIDIC POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000294-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A SOLID DISPERSION OF A POORLY-SOLUBLE DRUG IN A MATRIX AND A SOLUBILITY-ENHANCING POLYMER PFIZER PRODUCTS INC. (US) 2003-01-03 WO 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
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 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 (3 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 TSHR 1211/4885GAA 2329/4885SMN1; SMN2 3291/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 TSHR 4595/4885GAA 66/4885SMN1; SMN2 891/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 TSHR 4595/4885GAA 66/4885SMN1; SMN2 891/4885

“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.