SCHEMBL3480452

SCHEMBL3480452

CCC(=O)CSc1ccc(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 7/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL342810 0.83 ALDH1A1 (0.53) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL28754525 0.81 GAA (0.54) MAPTGAAALDH1A1LMNACYP1A2
SCHEMBL6084825 0.79 NPC1 (0.54) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL2499200 0.76 MAPT (0.60) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL2759472 0.76 AR (0.49) SMN1; SMN2MAPTGAAALDH1A1CYP1A2
SCHEMBL8320997 0.74 MAPT (0.48) SMN1; SMN2MAPTGAAALDH1A1LMNA
Benzene SCHEMBL7279252 0.74 SMN1; SMN2 (0.48) SMN1; SMN2MAPTGAAALDH1A1RXFP1
SCHEMBL14459702 0.74 PKM (0.44) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL19462169 0.74 HTT (0.57) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL8471824 0.73 NPC1 (0.55) SMN1; SMN2MAPTGAAALDH1A1LMNA

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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 SMN1; SMN2 3461/4885MAPT 4576/4885GAA 44/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS SMN1; SMN2 3467/4885MAPT 3993/4885GAA 13/4885

“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.