Sugi Predict

Sugi Predict / Compounds / SCHEMBL2115106

SCHEMBL2115106

SCHEMBL2115106

CC(O)c1ccc2ccccc2c1Sc1c(C(C)O)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.44
▸ PAK1 Q13153 1/20 0.44
▸ UGT2B7 P16662 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HPRT1 P00492 1/20 0.37
▸ CYP1A2 P05177 2/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL2116690 0.85 USP2 (0.42) USP2PAK1UGT2B7ALDH1A1CYP2A6
SCHEMBL2116452 0.80 TSHR (0.44) USP2PAK1ALDH1A1CYP2A6TSHR
SCHEMBL2116926 0.79 USP2 (0.38) USP2PAK1ALDH1A1CYP2A6TSHR
SCHEMBL17540622 0.77 PTPN22 (0.52) UGT2B7ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL5907426 0.77 UGT2B7 (0.42) UGT2B7ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL6753423 0.76 NCEH1 (0.42) UGT2B7ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL2012785 0.76 POLB (0.52) UGT2B7ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL1154786 0.74 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL12200321 0.74 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1155486 0.74 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 — — US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 — — US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 — — EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 — — WO claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 — — US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 — — US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 — — EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 — — 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 (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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B USP2 4133/4885PAK1 808/4885UGT2B7 485/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B USP2 4133/4885PAK1 808/4885UGT2B7 485/4885

“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.