SCHEMBL6002201

SCHEMBL6002201

O=c1oc2c(Sc3ccccc3)cc(O)c(Sc3ccc4ccccc4c3)c2s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
TYMS P04818 3/20 0.34
DHFR P00374 2/20 0.34
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
G6PD P11413 1/20 0.30
CCR6 P51684 1/20 0.30
HKDC1 Q2TB90 1/20 0.30

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
SCHEMBL6000156 0.96 TYMS (0.35) TYMSDHFRNPC1CYP1A2CYP2C9
SCHEMBL6000101 0.76 MAPT (0.44) TYMSDHFRNPC1CYP1A2CYP2C9
SCHEMBL6001582 0.71 MAPT (0.47) BCL2MCL1ICAM1SELESIRT1
SCHEMBL3281214 0.64 LMNA (0.52) BCL2MCL1CYP1A2SIRT2SIRT1
SCHEMBL6962447 0.64 SMN1; SMN2 (0.41) CYP1A2POLB
SCHEMBL10723581 0.63 MAPT (0.69) BCL2MCL1TYMSCYP1A2CYP2C9
SCHEMBL6002056 0.62 MAPT (0.44) BCL2MCL1DHFRPOLB
SCHEMBL14464897 0.61 MAPT (0.41) CYP2C19POLBTDP1
SCHEMBL14283890 0.61 HSP90AA1 (0.50) BCL2MCL1CYP2C9CYP2C19SIRT1
SCHEMBL30548745 0.61 MAP2K2 (0.48) TYMSCYP1A2SIRT2SIRT1SIRT3

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-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones JAQUITH JAMES B 2006-10-19 US disclosed
WO-2005012281-A1 NEUROPROTECTIVE BENZO[1,3]OXATHOL-2-ONES AEGERA THERAPEUTICS INC. (CA) 2005-02-10 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-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones NLN, SMN1; SMN2, TXN2 BCL2 27/4885MCL1 2425/4885TYMS 3420/4885

“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.