SCHEMBL12281679

SCHEMBL12281679

C[C@@H]1CN(c2ccc(C(F)(F)F)cc2/C=C2\SC(=O)NC2=O)C[C@H](C)N1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 5/20 0.53
▸ PIM2 Q9P1W9 5/20 0.53
▸ NR1H4 Q96RI1 2/20 0.53
▸ TTR P02766 1/20 0.50
▸ CISD1 Q9NZ45 1/20 0.50
▸ PTPN1 P18031 7/20 0.45
▸ PIM3 Q86V86 3/20 0.45
▸ RXRA P19793 1/20 0.45
▸ ESRRA P11474 3/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL1580673 1.00 PIM1 (0.53) PIM1PIM2NR1H4TTRCISD1
SCHEMBL1580675 1.00 PIM1 (0.53) PIM1PIM2NR1H4TTRCISD1
Hydrochloric Acid SCHEMBL2423162 0.99 PIM1 (0.52) PIM1PIM2NR1H4TTRCISD1
Hydrochloric Acid SCHEMBL2423158 0.99 PIM1 (0.52) PIM1PIM2NR1H4TTRCISD1
Hydrochloric Acid SCHEMBL2423157 0.99 PIM1 (0.52) PIM1PIM2NR1H4TTRCISD1
SCHEMBL13537622 0.93 NR1H4 (0.47) PIM1PIM2NR1H4TTRCISD1
SCHEMBL12282336 0.82 PIM1 (0.65) PIM1PIM2NR1H4TTRCISD1
Hydrochloric Acid SCHEMBL2424218 0.81 PIM1 (0.64) PIM1PIM2NR1H4TTRCISD1
Hydrochloric Acid SCHEMBL2424222 0.81 PIM1 (0.64) PIM1PIM2NR1H4TTRCISD1
Hydrochloric Acid SCHEMBL2424216 0.81 PIM1 (0.64) PIM1PIM2NR1H4TTRCISD1

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 6 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-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

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 3/4885NR1H4 4583/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM2 3/4885NR1H4 4579/4885

“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.

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