SCHEMBL13727601

SCHEMBL13727601

CC(C)Cc1cccc(CP(C)(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
PNMT P11086 1/20 0.38
PGK1 P00558 3/20 0.38
PGK2 P07205 3/20 0.38
TAAR1 Q96RJ0 4/20 0.36
SLC6A2 P23975 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
Phosphoric Acid SCHEMBL29099239 0.82 GABRA1 (0.46) GABRA1GABRB2PNMTPGK1PGK2
Phosphoric Acid SCHEMBL28056683 0.82 GABRA1 (0.46) GABRA1GABRB2PNMTPGK1PGK2
SCHEMBL8539519 0.82 GABRA1 (0.50) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL11919054 0.79 MGLL (0.42) GLAPGK1PGK2CYP2A6
SCHEMBL22515515 0.78 PGK1 (0.49) GLAPGK1PGK2
SCHEMBL13727237 0.78 GABRA1 (0.38) GLAGABRA1GABRB2PNMTTAAR1
SCHEMBL28286447 0.76 GABRA1 (0.42) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL15219286 0.75 TAAR1 (0.48) PGK1PGK2TAAR1
SCHEMBL9248105 0.74 HTR2A (0.44) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL2030119 0.73 MAOB (0.48) GLAMAOA

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-8338593-B2 Agonists; Treatment of Hepatitis C virus; phosphinate-substituted purine derivatives GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2009-08-13 US disclosed
US-20080008682-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2008-01-10 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-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 GLA 3099/4885GABRA1 1054/4885GABRB2 588/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 GLA 3044/4885GABRA1 1088/4885GABRB2 563/4885

“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.