SCHEMBL13778167

SCHEMBL13778167

CC(C)(C)c1cccc(CSCCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 2/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 2/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ACHE P22303 2/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 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
SCHEMBL10557169 0.84 CYP2C19 (0.54) CYP2C19HPGDLMNAKMT2ARXRA
SCHEMBL25628994 0.83 CYP2C19 (0.67) CYP2C19CYP1A2TP53ALDH1A1HPGD
SCHEMBL13778149 0.81 CYP2C19 (0.49) CYP2C19CYP1A2TP53ALDH1A1HPGD
SCHEMBL13778164 0.81 CYP2C19 (0.64) CYP2C19SMN1; SMN2EPHX1RXRARXRB
SCHEMBL28897758 0.81 NPC1 (0.43) CYP2C19CYP1A2ALDH1A1HPGDMEN1
SCHEMBL13870201 0.80 CYP2C19 (0.67) CYP2C19CYP1A2TP53ALDH1A1HPGD
SCHEMBL12993133 0.80 RXRA (0.58) CYP2C19CYP1A2RXRARXRBRXRG
SCHEMBL44801 0.77 CYP2C19 (1.00) CYP2C19CYP1A2TP53ALDH1A1HPGD
SCHEMBL892932 0.76 CYP1A2 (0.71) CYP2C19CYP1A2ALDH1A1HPGDKDM4E
SCHEMBL13778151 0.76 ACHE (0.39) CYP2C19CYP1A2EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 CYP2C19 536/4885CYP1A2 549/4885TP53 4498/4885

“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.