SCHEMBL20021664

SCHEMBL20021664

CC[C@@H]1CC(C(C)OC(=O)c2ccccc2)C(OC(C)=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
BCHE P06276 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL20021662 0.83 LMNA (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL17904298 0.75 LMNA (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL20021661 0.72 NPC1 (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL13253092 0.71 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL6098797 0.71 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL881993 0.71 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL13134673 0.71 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL22742954 0.71 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL31472992 0.71 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL882327 0.71 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A

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-20180093999-A1 NOVEL SUBSTITUTED AMINOTHIAZOLOPYRIMIDINEDIONE FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-04-05 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-20180093999-A1 NOVEL SUBSTITUTED AMINOTHIAZOLOPYRIMIDINEDIONE FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, ACE2, ACE LMNA 4035/4885CYP1A2 138/4885CYP2D6 13/4885

“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.