SCHEMBL3181111

SCHEMBL3181111

CCOC(=O)COc1c(C(=O)OC)sc2cc3ccc(N(C(=O)OC)C4CCCCC4)sc-3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
P2RY12 Q9H244 2/20 0.34
ESR1 P03372 1/20 0.33
ALDH1A1 P00352 7/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3196259 0.94 PDE2A (0.34) PDE2APDE3BPDE3AP2RY12ESR1
SCHEMBL3192682 0.87 ESR1 (0.36) PDE2APDE3BPDE3AP2RY12ESR1
SCHEMBL3191974 0.85 PDE2A (0.33) PDE2APDE3BPDE3AP2RY12ESR1
SCHEMBL3192078 0.84 ESR1 (0.36) PDE2APDE3BPDE3AP2RY12ESR1
SCHEMBL3203641 0.84 PTPN1 (0.43)
SCHEMBL3200166 0.82 ALOX15 (0.39) ESR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3201256 0.82 ESR1 (0.34) PDE2APDE3BPDE3AP2RY12ESR1
SCHEMBL3204293 0.81 PTPN1 (0.40) ESR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3189300 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AF9
SCHEMBL3190697 0.79 F9 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AF9

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-7674822-B2 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH (US) 2010-03-09 US disclosed
US-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH 2006-06-22 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-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid PTPA, PTPRCAP, PTPRC PDE2A 419/4885PDE3B 827/4885PDE3A 909/4885

“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.