SCHEMBL1654680

SCHEMBL1654680

CC(C)(C)OC(=O)NCc1ccc(F)cc1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.45
▸ GRM2 Q14416 1/20 0.43
▸ ANO1 Q5XXA6 3/20 0.42
▸ NQO2 P16083 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ RPS6KA1 Q15418 1/20 0.41
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL23735207 0.90 EGFR (0.44) KDM4AGRM2ANO1NQO2HDAC1
SCHEMBL12791296 0.88 P2RX7 (0.46) KDM4AGRM2HDAC1KCNA5RPS6KA1
SCHEMBL11933658 0.87 P2RX7 (0.48) KDM4AGRM2KCNA5RPS6KA1CTSS
SCHEMBL27669311 0.86 GRM2 (0.47) KDM4AGRM2KCNA5RPS6KA1CTSS
SCHEMBL29726461 0.86 GRM2 (0.44) KDM4AGRM2HDAC1KCNA5RPS6KA1
SCHEMBL23105674 0.86 P2RX7 (0.48) KDM4AGRM2CA12CA1CA2
SCHEMBL2528259 0.86 KDM4A (0.43) KDM4AGRM2NQO2HDAC1KCNA5
SCHEMBL4763233 0.85 GRM2 (0.48) KDM4AGRM2CA12CA1CA2
SCHEMBL1654700 0.85 KDM4A (0.42) KDM4AGRM2NQO2HDAC1KCNA5
SCHEMBL4508520 0.85 GPR119 (0.43) KDM4AGRM2KCNA5RPS6KA1CTSS

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 16 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
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 KDM4A 1101/4885GRM2 4876/4885ANO1 4108/4885
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS CCNI, CCNY, CDK7 KDM4A 774/4885GRM2 4717/4885ANO1 4691/4885

“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.

Send feedback