SCHEMBL8205186

SCHEMBL8205186

CC(=O)OC1C(OC(C)=O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
HINT1 P49773 6/20 0.56
ALDH1A1 P00352 2/20 0.55
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NT5E P21589 1/20 0.51
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51
MAPK14 Q16539 2/20 0.51
PNP P00491 1/20 0.49
TGM2 P21980 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL3812199 1.00 HPGD (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL13597930 1.00 HPGD (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL5011969 0.92 HINT1 (0.59) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL14559269 0.92 HINT1 (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL11910704 0.92 HINT1 (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL18179095 0.92 HINT1 (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL2582792 0.92 HPGD (0.56) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL25407962 0.90 ALDH1A1 (0.68) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL14144174 0.90 ALDH1A1 (0.68) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL1061031 0.90 ALDH1A1 (0.68) HPGDHINT1ALDH1A1TAS1R3TAS1R1

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-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION UNIVERSIDAD NACIONAL DE QUILMES (AR) 2009-12-31 US disclosed
WO-2008055875-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISION THEREOF AND A METHOD FOR THE TREATMENT OF A RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION UNIVERSIDAD NACIONAL DE QUILMES (AR) 2008-05-15 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-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION RHOA, ARHGDIA, ARHGDIB HPGD 2674/4885HINT1 2800/4885ALDH1A1 4493/4885

“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.