SCHEMBL4896898

SCHEMBL4896898

CCOC(=O)c1[nH]c(C)nc1C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
DHODH Q02127 3/20 0.40
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
LMNA P02545 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
SCHEMBL16210583 0.92 TSHR (0.41) ALDH1A1HPGDHTTKDM4ERECQL
SCHEMBL16211200 0.86 ALDH1A1 (0.39) ALDH1A1HPGDHTTKDM4ERECQL
SCHEMBL7310655 0.84 ALDH1A1 (0.44) ALDH1A1HPGDHTTKDM4ERECQL
SCHEMBL2616850 0.78 ALDH1A1 (0.53) ALDH1A1HPGDHTTKDM4ERECQL
SCHEMBL3033689 0.76 ALDH1A1 (0.45) ALDH1A1HPGDHTTKDM4ERECQL
SCHEMBL17479599 0.76 CYP1A2 (0.44) ALDH1A1HPGDHTTKDM4ERECQL
SCHEMBL7885220 0.76 ALDH1A1 (0.51) ALDH1A1HPGDHTTKDM4ERECQL
SCHEMBL21155447 0.75 KDM4E (0.57) ALDH1A1HTTKDM4EGAATSHR
SCHEMBL1976965 0.75 HSD17B10 (0.42) ALDH1A1HPGDHTTKDM4ERECQL
SCHEMBL24283847 0.75 ALDH1A1 (0.50) ALDH1A1HPGDHTTKDM4ERECQL

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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
EP-1740550-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV Pfizer Limited (GB) 2007-01-10 EP disclosed
WO-2005100322-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV PFIZER LIMITED (GB) 2005-10-27 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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 ALDH1A1 84/4885HPGD 940/4885HTT 2311/4885

“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.