SCHEMBL20021660

SCHEMBL20021660

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.31
FAAH O00519 1/20 0.30
MAOA P21397 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 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
SCHEMBL20021671 0.79 ACE (0.31)
SCHEMBL20021672 0.79 ACE (0.31)
SCHEMBL13324530 0.76 POLB (0.44) POLBHTTKMT2AALDH1A1TDP1
SCHEMBL10120770 0.72
SCHEMBL2959559 0.72
SCHEMBL20021661 0.71 NPC1 (0.43) POLBHTTKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL10584749 0.70 POLB (0.42) POLBHTTKMT2AALDH1A1TDP1
SCHEMBL576066 0.70 POLB (0.56) POLBHTTKMT2AALDH1A1TDP1
SCHEMBL16186320 0.70
SCHEMBL16563037 0.70

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 POLB 1334/4885HTT 4355/4885KMT2A 1952/4885

“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.