SCHEMBL4683972

SCHEMBL4683972

COc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
AAK1 Q2M2I8 2/20 0.42
FOLH1 Q04609 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TAS1R3 Q7RTX0 4/20 0.40
TAS1R1 Q7RTX1 4/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
FFAR1 O14842 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4683971 1.00 CTSS (0.43) CTSSCTSKAAK1FOLH1KDM4E
SCHEMBL3812435 0.90 KDM4E (0.48) CTSSCTSKFOLH1KDM4EALDH1A1
SCHEMBL31724343 0.90 KDM4E (0.48) CTSSCTSKFOLH1KDM4EALDH1A1
SCHEMBL3375654 0.86 AAK1 (0.46) CTSSCTSKAAK1FOLH1KDM4E
SCHEMBL3814665 0.86 TAS1R3 (0.44) CTSSCTSKAAK1FOLH1KDM4E
SCHEMBL10806937 0.85 TSHR (0.58) CTSSCTSKFOLH1GAABLM
SCHEMBL11353719 0.84 CTSS (0.44) CTSSCTSKFOLH1BLMNPSR1
SCHEMBL20588318 0.83 S1PR3 (0.46) CTSSCTSKAAK1FOLH1AKR1C3
SCHEMBL30371015 0.83 S1PR3 (0.46) CTSSCTSKAAK1FOLH1AKR1C3
SCHEMBL2833070 0.83 S1PR3 (0.45) CTSSCTSKAAK1KDM4ESLC6A3

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-7427635-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 EP disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 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-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU CTSS 1158/4885CTSK 1629/4885AAK1 1909/4885

“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.