SCHEMBL21758801

SCHEMBL21758801

CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
SERPINE1 P05121 1/20 0.43
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KCNK2 O95069 1/20 0.40
KCNK10 P57789 1/20 0.40
IDO1 P14902 2/20 0.40
GAA P10253 3/20 0.40

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
SCHEMBL22092478 0.85 RXFP1 (0.46) RXFP1KDM4ELMNAPOLBKCNK2
SCHEMBL29259910 0.85 KDM4E (0.63) KDM4EHSD17B10HSP90AA1HSP90AB1SERPINE1
SCHEMBL24269577 0.83 ATR (0.53) RXFP1KDM4EHSD17B10HSP90AA1HSP90AB1
SCHEMBL17378665 0.83 CYP1A2 (0.51) KDM4EHSD17B10RAB9ATP53MAPT
SCHEMBL2472815 0.82 RAB9A (0.53) KDM4EHSD17B10SERPINE1PDK1PDK2
SCHEMBL30572402 0.82 RAB9A (0.53) KDM4EHSD17B10SERPINE1PDK1PDK2
SCHEMBL3787046 0.81 KMT2A (0.54) HSP90AA1HSP90AB1PDK1PDK2PDK3
SCHEMBL8257605 0.81 PDK1 (0.51) KDM4EHSD17B10SERPINE1PDK1PDK2
SCHEMBL17616117 0.80 KMT2A (0.52) RXFP1HSP90AA1HSP90AB1RAB9AMAPT
SCHEMBL6628806 0.80 PDK1 (0.56) HSP90AA1HSP90AB1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548469-B1 METHOD FOR THE MANUFACTURE OF EFAVIRENZ UNIV NELSON MANDELA METROPOLITAN (ZA) 2020-08-26 EP claimed
US-10689353-B2 Method for the manufacture of Efavirenz NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2020-06-23 US disclosed
US-20200062722-A1 Method For The Manufacture of Efavirenz NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2020-02-27 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-10689353-B2 Method for the manufacture of Efavirenz CYP2F1, CYP2D6, CYP3A4 RXFP1 3961/4885KDM4E 334/4885HSD17B10 519/4885
US-20200062722-A1 Method For The Manufacture of Efavirenz CYP2F1, CYP2D6, CYP3A4 RXFP1 3961/4885KDM4E 334/4885HSD17B10 519/4885

“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.