Sugi Predict

Sugi Predict / Compounds / SCHEMBL2175333

SCHEMBL2175333

SCHEMBL2175333

CC(C)(C)OC(=O)N1CCC2(CC1)CC(CC(=O)O)C(=O)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.44
▸ HSD11B2 P80365 2/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ KDM1A O60341 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ STS P08842 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39

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
SCHEMBL2176120 0.90 HDAC1 (0.44) HDAC1HDAC8HDAC6USP30GPR119
SCHEMBL12408212 0.90 USP30 (0.40) HDAC1HDAC8HDAC6USP30GPR119
SCHEMBL1222317 0.86 HSD11B1 (0.58) HSD11B1HSD11B2HDAC1HDAC8HDAC6
SCHEMBL3809943 0.86 HSD11B1 (0.58) HSD11B1HSD11B2HDAC1HDAC8HDAC6
SCHEMBL12408216 0.80 KDM1A (0.37) HDAC1HDAC8HDAC6USP30GPR119
SCHEMBL3656302 0.78 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL1221984 0.78 HRH3 (0.51) HDAC1HDAC8HDAC6USP30GPR119
SCHEMBL29562510 0.78 HRH3 (0.51) HDAC1HDAC8HDAC6USP30GPR119
SCHEMBL27869657 0.78 HDAC1 (0.44) HDAC1HDAC8HDAC6USP30GPR119
SCHEMBL242013 0.77 PDK2 (0.47) HDAC1HDAC8HDAC6USP30GPR119

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973162-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 — — US disclosed
US-7973162-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 — — US disclosed
US-7973162-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 — — US disclosed
EP-2207549-A1 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2010-07-21 — — EP disclosed
US-20090099222-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-04-16 — — US disclosed
US-20090099222-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-04-16 — — US disclosed
US-20090099222-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-04-16 — — US disclosed
WO-2009045519-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 — — WO disclosed
WO-2009045519-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 — — 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-20090099222-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HSD11B1 1412/4885HSD11B2 1368/4885HDAC1 1652/4885

“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.