SCHEMBL5128640

SCHEMBL5128640

COC(=O)CCc1cnc(C(C)O)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.40
ADRB2 P07550 5/20 0.38
ADRB1 P08588 5/20 0.38
ADRB3 P13945 4/20 0.38
HPGD P15428 1/20 0.36
MLYCD O95822 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FDPS P14324 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12868678 0.90 RPS6KB2 (0.41) RPS6KB2ADRB2ADRB1ADRB3HPGD
SCHEMBL10289763 0.78 RPS6KB2 (0.44) RPS6KB2HPGDTSHRKDM4ECYP11B1
SCHEMBL15825442 0.78 RPS6KB2 (0.44) RPS6KB2HPGDTSHRKDM4ECYP11B1
SCHEMBL4594749 0.77 SMN1; SMN2 (0.55) RPS6KB2HPGDTSHRKDM4EALDH1A1
SCHEMBL4008532 0.77 RPS6KB2 (0.43) RPS6KB2HPGDTSHRKDM4ECYP11B1
SCHEMBL5129657 0.76 CYP11B1 (0.43) RPS6KB2ADRB2ADRB1CYP11B1CYP11B2
Bromide SCHEMBL15825194 0.76 SMN1; SMN2 (0.54) RPS6KB2HPGDTSHRKDM4EALDH1A1
SCHEMBL13091417 0.75 RPS6KB2 (0.44) RPS6KB2HPGDMLYCDTSHRKDM4E
SCHEMBL15820082 0.75 RPS6KB2 (0.41) RPS6KB2HPGDTSHRKDM4EFDPS
SCHEMBL18574128 0.74 ALDH1A1 (0.44) TSHRALDH1A1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108675-A1 THIAZOLE SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-05-08 US disclosed
US-7309709-B2 Thiazole sulfonamide compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2007-12-18 US disclosed
WO-2005097114-A2 THIAZOLE SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-20 WO disclosed
US-20050222223-A1 Thiazole sulfonamide compounds for the treatment of neurodegenerative disorders PFIZER INC. 2005-10-06 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 (2 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-20050222223-A1 Thiazole sulfonamide compounds for the treatment of neurodegenerative disorders APP, PSEN1, PSEN2 RPS6KB2 2281/4885ADRB2 2550/4885ADRB1 1419/4885
US-20080108675-A1 THIAZOLE SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 RPS6KB2 2281/4885ADRB2 2550/4885ADRB1 1419/4885

“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.