SCHEMBL4837449

SCHEMBL4837449

CS(=O)(=O)NCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.56
ALDH1A1 P00352 3/20 0.54
TBXA2R P21731 1/20 0.54
ADRA1A P35348 1/20 0.53
PRMT1 Q99873 1/20 0.52
TSHR P16473 4/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
PKM P14618 1/20 0.47
PPARG P37231 4/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 4/20 0.46
GPR84 Q9NQS5 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
TLR2 O60603 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL31522346 1.00 FABP4 (0.56) FABP4ALDH1A1TBXA2RADRA1APRMT1
SCHEMBL4004131 1.00 FABP4 (0.56) FABP4ALDH1A1TBXA2RADRA1APRMT1
Hydrochloric Acid SCHEMBL6528223 0.98 FABP4 (0.54) FABP4ALDH1A1TBXA2RADRA1APRMT1
SCHEMBL7416799 0.98 FABP4 (0.58) FABP4ALDH1A1TBXA2RADRA1APRMT1
Hydrochloric Acid SCHEMBL21875916 0.96 FABP4 (0.56) FABP4ALDH1A1TBXA2RADRA1APRMT1
SCHEMBL7742034 0.91 FABP4 (0.50) FABP4ALDH1A1TBXA2RADRA1ATSHR
SCHEMBL10825246 0.89 EPHX2 (0.55) FABP4ALDH1A1TBXA2RADRA1APRMT1
SCHEMBL28965375 0.87 TSHR (0.67) FABP4ALDH1A1ADRA1APRMT1TSHR
Pimelic Acid SCHEMBL15353467 0.87 TSHR (0.67) FABP4ALDH1A1ADRA1APRMT1TSHR
Adipic Acid SCHEMBL28253795 0.84 LMNA (0.65) FABP4ALDH1A1ADRA1APRMT1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 US disclosed
US-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2006-10-26 US disclosed
US-7126001-B2 Class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-24 US disclosed
EP-1231919-A4 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF SLOAN KETTERING INSTITUTEFOR C (US) 2005-02-23 EP disclosed
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH 2004-01-01 US disclosed
US-6511990-B1 Selectively inducing terminal differentiation of neoplastic cells and thereby inhibiting proliferation SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-01-28 US disclosed
CN-1378450-A Novel class of cytodifferentiating agents and histone deactylase inhibitors, and methods of use thereof SLOAN KETTERING INST OF CANCER (US) 2002-11-06 CN disclosed
EP-1231919-A2 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 2002-08-21 EP disclosed
WO-2001018171-A2 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2001-03-15 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 (4 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-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 FABP4 2784/4885ALDH1A1 367/4885TBXA2R 2675/4885
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 FABP4 2784/4885ALDH1A1 367/4885TBXA2R 2675/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 FABP4 2784/4885ALDH1A1 367/4885TBXA2R 2675/4885
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 FABP4 3021/4885ALDH1A1 398/4885TBXA2R 3033/4885

“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.