Sugi Predict

Sugi Predict / Compounds / SCHEMBL1007332

SCHEMBL1007332

SCHEMBL1007332

COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ESR1 P03372 4/20 0.36
▸ ESR2 Q92731 4/20 0.36
▸ IDH1 O75874 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ BCL9 O00512 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ C5AR1 P21730 1/20 0.33

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
SCHEMBL1004177 0.89 MAPT (0.38) ESR1ESR2ALDH1A1MAPT
SCHEMBL1006240 0.87 PTGS1 (0.42) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL12844881 0.87 MAPT (0.38) KMT2AESR1ESR2MEN1ALDH1A1
SCHEMBL1004655 0.86 NPC1 (0.37) KMT2AESR1ESR2MEN1MAPT
SCHEMBL1004000 0.86 SMN1; SMN2 (0.36) KMT2AHTTESR1ESR2MEN1
SCHEMBL1004824 0.86 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1XDHNPC1
SCHEMBL1004434 0.84 TSHR (0.40) PTGS1PTGS2KMT2AMEN1ALDH1A1
SCHEMBL1004866 0.84 CYP26A1 (0.42) KMT2AMEN1ALDH1A1XDHSMN1; SMN2
SCHEMBL1005032 0.83 SLC6A3 (0.40) KMT2AMEN1XDH
SCHEMBL1003747 0.83 CA1 (0.44) KMT2AMEN1ALDH1A1

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-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 — — US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 — — US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 — — US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 — — WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 — — WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 — — 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PTGS1 1591/4885PTGS2 2185/4885KMT2A 1372/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PTGS1 1591/4885PTGS2 2185/4885KMT2A 1372/4885

“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.