Sugi Predict

Sugi Predict / Compounds / SCHEMBL2006193

SCHEMBL2006193

SCHEMBL2006193

O=C(O)Cc1c(I)n(Cc2ccc(O)cc2)c2cc(O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 7/20 0.52
▸ CA2 P00918 1/20 0.42
▸ CAMK2A Q9UQM7 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ PMP22 Q01453 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL2004723 0.90 PLA2G2A (0.52) PLA2G2ACA2CAMK2APTGDR2LMNA
SCHEMBL2003821 0.85 PLA2G2A (0.53) PLA2G2ACA2CAMK2APTGDR2THRA
SCHEMBL2003035 0.84 PLA2G2A (0.52) PLA2G2ACA2CAMK2APTGDR2THRA
SCHEMBL2005064 0.84 PLA2G2A (0.52) PLA2G2ACA2CAMK2APTGDR2THRA
SCHEMBL2006271 0.84 PLA2G2A (0.72) PLA2G2APTGDR2THRATHRBLMNA
SCHEMBL2012300 0.83 PLA2G2A (0.46) PLA2G2ACAMK2ATHRATHRBALDH1A1
SCHEMBL2007060 0.82 PLA2G2A (0.60) PLA2G2ACA2CAMK2APTGDR2THRA
SCHEMBL2005441 0.81 PLA2G2A (0.52) PLA2G2ACA2CAMK2APTGDR2THRA
SCHEMBL2002870 0.78 PLA2G2A (0.82) PLA2G2APTGDR2THRATHRBLMNA
SCHEMBL2003295 0.77 PLA2G2A (0.51) PLA2G2ACA2CAMK2APTGDR2THRA

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 3285/4885CA2 2715/4885CAMK2A 341/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885CA2 2153/4885CAMK2A 1056/4885

“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.