SCHEMBL1654402

SCHEMBL1654402

CNS(=O)(=O)CCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 5/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
AKR1B1 P15121 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL26650508 0.93 LMNA (0.43) LMNATSHRNFKB1PMP22AKR1B1
SCHEMBL17337458 0.84 APEX1 (0.52) LMNATSHRALDH1A1SLC22A6KMT2A
Hydrochloric Acid SCHEMBL25380148 0.82 APEX1 (0.50) LMNATSHRALDH1A1SLC22A6KMT2A
Adipic Acid SCHEMBL28253795 0.76 LMNA (0.65) LMNATSHRNFKB1PMP22AKR1B1
Adipic Acid SCHEMBL5874433 0.75 LMNA (0.73) LMNATSHRNFKB1PMP22AKR1B1
Adipic Acid SCHEMBL5874442 0.75 LMNA (0.73) LMNATSHRNFKB1PMP22AKR1B1
SCHEMBL2551740 0.75 KDM4E (0.37) ALDH1A1MEN1KMT2A
SCHEMBL17653549 0.75 LMNA (0.55) LMNATSHRNFKB1PMP22AKR1B1
SCHEMBL24838635 0.74
SCHEMBL28965375 0.74 TSHR (0.67) LMNATSHRNFKB1PMP22GPR84

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-2675803-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS Elanco Animal Health Ireland Limited (IE) 2013-12-25 EP disclosed
EP-2488521-B1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND (IE) 2013-12-18 EP disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
WO-2012112345-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-08-23 WO disclosed
EP-2488521-A1 MACROCYCLIC INTEGRASE INHIBITORS Elanco Animal Health Ireland Limited (IE) 2012-08-22 EP disclosed
EP-2487176-A1 Macrocyclic integrase inhibitors for use in the treatment of feline immunodeficiency virus Elanco Animal Health Ireland Limited (IE) 2012-08-15 EP disclosed
EP-2487176-A1 Macrocyclic integrase inhibitors for use in the treatment of feline immunodeficiency virus Elanco Animal Health Ireland Limited (IE) 2012-08-15 EP disclosed
CN-102574854-A Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND 2012-07-11 CN disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
WO-2011045330-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-04-21 WO disclosed
WO-2011045330-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-04-21 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 (2 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-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS FIP1L1, PIM1, TYMP LMNA 2097/4885TSHR 4269/4885NFKB1 488/4885
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS CCNI, CCNY, CDK7 LMNA 1755/4885TSHR 3971/4885NFKB1 2241/4885

“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.