Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004944

SCHEMBL2004944

SCHEMBL2004944

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.54
▸ PLA2G2A P14555 13/20 0.52
▸ LMNA P02545 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ PMP22 Q01453 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ MEN1 O00255 1/20 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
▸ KMT2A Q03164 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ KDM4E B2RXH2 1/20 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
SCHEMBL2005064 0.90 PLA2G2A (0.52) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL2000559 0.85 PLA2G2A (0.53) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL3000875 0.85 PTGS2 (0.74) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL2004243 0.84 PLA2G2A (0.72) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL2001502 0.84 PLA2G2A (0.52) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL2004723 0.84 PLA2G2A (0.52) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL7965308 0.84 PLA2G2A (0.74) PLA2G2A
SCHEMBL2010086 0.84 PLA2G2A (0.47) PTGS2PLA2G2AALDH1A1MAPTPKM
SCHEMBL2007975 0.82 PLA2G2A (0.73) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL2008951 0.81 PLA2G2A (0.52) PTGS2PLA2G2ALMNACYP1A2CYP3A4

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 PTGS2 45/4885PLA2G2A 3285/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGS2 460/4885PLA2G2A 326/4885LMNA 4536/4885

“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.