SCHEMBL1629960

SCHEMBL1629960

CC(C)(C)[C@](C)(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
GGT1 P19440 1/20 0.37
GRM2 Q14416 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 2/20 0.35
HIF1A Q16665 1/20 0.35
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
BLM P54132 1/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
FDPS P14324 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HMGCR P04035 1/20 0.30

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
SCHEMBL3821556 1.00 ALDH1A1 (0.44) ALDH1A1TSHRGGT1GRM2CYP2C19
SCHEMBL8818106 1.00 ALDH1A1 (0.44) ALDH1A1TSHRGGT1GRM2CYP2C19
Hydrochloric Acid SCHEMBL23174538 0.97 ALDH1A1 (0.42) ALDH1A1TSHRGGT1GRM2CYP2C19
Hydrochloric Acid SCHEMBL23174539 0.97 ALDH1A1 (0.42) ALDH1A1TSHRGGT1GRM2CYP2C19
SCHEMBL8689663 0.86 ALDH1A1 (0.50) ALDH1A1TSHRGGT1GRM2CYP2C19
SCHEMBL6437798 0.81 ALDH1A1 (0.40) ALDH1A1TSHRGGT1GRM2CYP2C19
SCHEMBL6439208 0.81 ALDH1A1 (0.40) ALDH1A1TSHRGGT1GRM2CYP2C19
SCHEMBL27783843 0.80 ALDH1A1 (0.44) ALDH1A1TSHRGGT1GRM2CYP2C19
Hydrochloric Acid SCHEMBL19900732 0.79 ALDH1A1 (0.38) ALDH1A1TSHRGGT1GRM2CYP2C19
Hydrochloric Acid SCHEMBL19900791 0.79 ALDH1A1 (0.38) ALDH1A1TSHRGGT1GRM2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119136797-A CB1Ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2024-12-13 CN disclosed
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
EP-2183260-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-5444061-A Antitumor agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-08-22 US disclosed
WO-1992016512-A1 ANTI-CANCER COMPOUNDS BRITISH TECHNOLOGY GROUP PLC (GB) 1992-10-01 WO 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H ALDH1A1 1722/4885TSHR 3605/4885GGT1 160/4885

“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.