SCHEMBL6808975

SCHEMBL6808975

CC1(C)C(=O)N(CC(=O)CSCc2ccccc2)C(=O)[N+]1(C)SCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 7/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP2C19 P33261 3/20 0.35
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.34
ACE P12821 1/20 0.34
AR P10275 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 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
SCHEMBL943431 0.75 PLA2G7 (0.45) ALDH1A1ATMRAB9ANPC1SMN1; SMN2
Benzenemethanethiol SCHEMBL6808974 0.70 PLA2G7 (0.41) ALDH1A1ATMRAB9ANPC1SMN1; SMN2
SCHEMBL20395222 0.68 CYP2C19 (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2CYP2C19
SCHEMBL5935744 0.65 CYP2C19 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2CYP2C19
SCHEMBL26447128 0.63 CYP2C19 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2CYP2C19
SCHEMBL10560722 0.62 CYP2C19 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2CYP2C19
SCHEMBL941161 0.61 CYP1A2 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2CYP2C19
SCHEMBL499117 0.61 CYP2C19 (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2CYP2C19
SCHEMBL12624599 0.60 CYP2C19 (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2CYP2C19
SCHEMBL5840786 0.60 CYP2C19 (0.57) ALDH1A1RAB9ANPC1SMN1; SMN2CYP2C19

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-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 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-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 ALDH1A1 573/4885ATM 4778/4885RAB9A 2232/4885

“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.