SCHEMBL3107772

SCHEMBL3107772

Cc1cccc(-c2nc(C(C)OS(C)(=O)=O)no2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.46
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
GRM5 P41594 4/20 0.44
TP53 P04637 4/20 0.44
KCNT1 Q5JUK3 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3107768 1.00 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL1545485 0.86 KCNH2 (0.53) RAB9ANPC1SMN1; SMN2TSHRGRM5
SCHEMBL5741983 0.84 KCNH2 (0.51) RAB9ANPC1SMN1; SMN2TSHRGRM5
Methane SCHEMBL5741987 0.83 KCNH2 (0.50) RAB9ANPC1SMN1; SMN2TSHRGRM5
SCHEMBL26294458 0.80 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL4101459 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL24590515 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL3108844 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL1544609 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL3110806 0.77 GRM5 (0.48) RAB9ASMN1; SMN2TSHRGRM5TP53

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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US claimed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 RAB9A 821/4885NPC1 2401/4885SMN1; SMN2 1071/4885

“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.