SCHEMBL19939487

SCHEMBL19939487

Cc1c(C)c(C)c(C(O)c2cc(Cl)ccc2NC(=O)OC(C)(C)C)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ELANE P08246 1/20 0.38
CTRB1 P17538 1/20 0.38
PTGER1 P34995 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
LPAR1 Q92633 1/20 0.36
IDO1 P14902 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP2C9 P11712 1/20 0.35
CDK1 P06493 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL13776183 0.84 LPAR1 (0.45) HSP90AA1HSP90AB1KDM4EALDH1A1GAA
SCHEMBL13775974 0.82 HSP90AA1 (0.40) HSP90AA1HSP90AB1ELANECTRB1ALDH1A1
SCHEMBL4119701 0.81 LPAR1 (0.45) HSP90AA1HSP90AB1KDM4EALDH1A1GAA
SCHEMBL30478220 0.81 HSP90AA1 (0.38) HSP90AA1HSP90AB1ELANECTRB1PTGER1
SCHEMBL8254664 0.81 AAK1 (0.39) HSP90AA1HSP90AB1GAAAAK1MEN1
SCHEMBL4119464 0.80 LPAR1 (0.51) HSP90AA1HSP90AB1KDM4EALDH1A1GAA
SCHEMBL13776189 0.80 HSP90AA1 (0.44) HSP90AA1HSP90AB1LPAR1IDO1MEN1
SCHEMBL4122839 0.78 LMNA (0.46) HSP90AA1HSP90AB1KDM4EALDH1A1GAA
SCHEMBL13776193 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1LPAR1IDO1
SCHEMBL13776424 0.78 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1HPGDLPAR1

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
US-20230263805-A1 DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF GABA THERAPEUTICS INC (US) 2023-08-24 US disclosed
US-11672805-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof GABA THERAPEUTICS INC. (US) 2023-06-13 US disclosed
US-20180064717-A1 DEUTERATED ANALONGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF GABA THERAPEUTICS INC. 2018-03-08 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 (3 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-20180064717-A1 DEUTERATED ANALONGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF CYP2D6, CYP2S1, CYP3A43 HSP90AA1 3131/4885HSP90AB1 3068/4885ELANE 1908/4885
US-11672805-B2 Deuterated analogs of etifoxine, their derivatives and uses thereof CYP2F1, CYP3A5, CYP4F3 HSP90AA1 2701/4885HSP90AB1 2312/4885ELANE 2711/4885
US-20230263805-A1 DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEREOF CYP2F1, CYP3A5, CYP4F3 HSP90AA1 2701/4885HSP90AB1 2312/4885ELANE 2711/4885

“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.