Sugi Predict

Sugi Predict / Compounds / SCHEMBL2007754

SCHEMBL2007754

SCHEMBL2007754

Cc1c(CC(=O)O)c2cc(C(F)(F)F)c(F)cc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.51
▸ AKR1C2 P52895 2/20 0.51
▸ PTGDR2 Q9Y5Y4 7/20 0.50
▸ PLA2G2A P14555 6/20 0.48
▸ PLA2G1B P04054 1/20 0.48
▸ 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
▸ KDM4E B2RXH2 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL2001190 0.92 AKR1C3 (0.52) AKR1C3AKR1C2PTGDR2PLA2G2APLA2G1B
SCHEMBL4543998 0.89 PLA2G2A (0.50) AKR1C3AKR1C2PTGDR2PLA2G2APLA2G1B
SCHEMBL2005779 0.89 PTGDR2 (0.56) PTGDR2PLA2G2APLA2G1BLMNACYP1A2
SCHEMBL2008346 0.87 PPARG (0.51) PTGDR2PLA2G2APLA2G1BLMNACYP1A2
SCHEMBL2003959 0.87 PLA2G2A (0.50) AKR1C3AKR1C2PTGDR2PLA2G2APLA2G1B
SCHEMBL3000306 0.86 PTGDR2 (0.68) AKR1C3AKR1C2PTGDR2PLA2G2APLA2G1B
SCHEMBL4210031 0.84 THRA (0.60) AKR1C3AKR1C2PTGDR2PLA2G2APLA2G1B
SCHEMBL13299652 0.83 PLA2G2A (0.50) AKR1C3AKR1C2PTGDR2PLA2G2APLA2G1B
SCHEMBL2007815 0.83 LMNA (0.58) AKR1C3AKR1C2PTGDR2PLA2G2APLA2G1B
SCHEMBL2002065 0.83 PTGDR2 (0.53) AKR1C3AKR1C2PTGDR2PLA2G2APLA2G1B

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 7 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
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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 — — EP disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 — — US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 — — 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-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 AKR1C3 1451/4885AKR1C2 1219/4885PTGDR2 28/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT AKR1C3 970/4885AKR1C2 848/4885PTGDR2 157/4885

“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.