SCHEMBL2423842

SCHEMBL2423842

CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2/C=C2\SC(=O)NC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.48
▸ PIM2 Q9P1W9 3/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ PTPN1 P18031 9/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ MC4R P32245 2/20 0.40
▸ ESRRA P11474 2/20 0.40
▸ TTR P02766 1/20 0.38
▸ CISD1 Q9NZ45 1/20 0.38
▸ PTPN2 P17706 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37

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
SCHEMBL2423844 1.00 PIM1 (0.48) PIM1PIM2PIM3PTPN1SIGMAR1
SCHEMBL13537792 0.95 PIM1 (0.48) PIM1PIM2PIM3PTPN1SIGMAR1
SCHEMBL2425656 0.85 GPR119 (0.49) PIM1PIM2PIM3PTPN1NR1H4
SCHEMBL2425657 0.85 GPR119 (0.49) PIM1PIM2PIM3PTPN1NR1H4
SCHEMBL12282352 0.84 PIM1 (0.46) PIM1PIM2PIM3PTPN1NR1H4
SCHEMBL2421672 0.84 PIM1 (0.60) PIM1PIM2PIM3SIGMAR1
SCHEMBL2421675 0.84 PIM1 (0.60) PIM1PIM2PIM3SIGMAR1
SCHEMBL2421668 0.84 PIM1 (0.60) PIM1PIM2PIM3SIGMAR1
Hydrochloric Acid SCHEMBL2428062 0.83 PIM1 (0.45) PIM1PIM2PIM3PTPN1NR1H4
Hydrochloric Acid SCHEMBL2428066 0.83 PIM1 (0.45) PIM1PIM2PIM3PTPN1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM2 3/4885PIM3 2/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM2 3/4885PIM3 2/4885

“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