Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004723

SCHEMBL2004723

SCHEMBL2004723

O=C(O)Cc1c(I)n(Cc2ccc(O)cc2)c2ccc(O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 7/20 0.52
▸ MAPT P10636 4/20 0.46
▸ PKM P14618 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ PMP22 Q01453 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RGS12 O14924 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ PTGS2 P35354 2/20 0.46

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
SCHEMBL2006193 0.90 PLA2G2A (0.52) PLA2G2AMAPTPKMLMNATSHR
SCHEMBL2000559 0.85 PLA2G2A (0.53) PLA2G2AMAPTPKMLMNATSHR
SCHEMBL2001502 0.84 PLA2G2A (0.52) PLA2G2AMAPTPKMLMNATSHR
SCHEMBL2004944 0.84 PTGS2 (0.54) PLA2G2AMAPTPKMLMNATSHR
SCHEMBL2004243 0.84 PLA2G2A (0.72) PLA2G2AMAPTPKMLMNATSHR
SCHEMBL2006709 0.83 PLA2G2A (0.46) PLA2G2AMAPTPKMLMNAALDH1A1
SCHEMBL2007975 0.82 PLA2G2A (0.73) PLA2G2AMAPTPKMLMNATSHR
SCHEMBL2008951 0.81 PLA2G2A (0.52) PLA2G2AMAPTPKMLMNATSHR
SCHEMBL6025562 0.79 MAPT (0.73) PLA2G2AMAPTPKMLMNATSHR
SCHEMBL5437216 0.78 PLA2G2A (0.82) PLA2G2AMAPTPKMLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — 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 (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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PLA2G2A 3285/4885MAPT 997/4885PKM 2180/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885MAPT 3753/4885PKM 4518/4885

“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.