SCHEMBL17697354

SCHEMBL17697354

CCOC(=O)c1nn(CC)c2c1[C@@H](C)[C@@H](C)C2(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.36
PDE4B Q07343 8/20 0.36
PDE4C Q08493 8/20 0.36
PDE4D Q08499 8/20 0.36
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
MTOR P42345 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL20078937 0.84 LMNA (0.33) LMNAKDM4ERAB9AALDH1A1NPC1
SCHEMBL24878752 0.72 ALDH1A1 (0.35) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL19890884 0.71 MAPK1 (0.36) KDM4EALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL16006682 0.70 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL21995999 0.70 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL17695171 0.70 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL16145220 0.69
SCHEMBL17695172 0.69 KDM4E (0.32) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL24878758 0.69 KDM4E (0.32) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL16006579 0.69 KDM4E (0.32) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 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 (1 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-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 PDE4A 3273/4885PDE4B 2755/4885PDE4C 3045/4885

“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.