Sugi Predict

Sugi Predict / Compounds / SCHEMBL2002483

SCHEMBL2002483

SCHEMBL2002483

Cc1c(CC(=O)O)c2c(F)c(O)ccc2n1C(=O)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ AKR1C3 P42330 8/20 0.39
▸ AKR1C2 P52895 8/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ AKR1C4 P17516 1/20 0.35

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
SCHEMBL2004198 0.87 PTGS1 (0.42) KMT2AALDH1A1HSD17B10MEN1USP2
SCHEMBL5547070 0.86 AKR1C3 (0.42) KMT2AALDH1A1HSD17B10MEN1USP2
SCHEMBL2008005 0.84 AKR1C3 (0.39) KMT2AMEN1HPGDAKR1C3AKR1C2
SCHEMBL2007127 0.83 AKR1C3 (0.40) KMT2AMEN1AKR1C3AKR1C2PTGS1
SCHEMBL2008506 0.83 AKR1C3 (0.40) KMT2AMEN1AKR1C3AKR1C2PTGS1
SCHEMBL2004280 0.83 AKR1C3 (0.42) KMT2AMEN1AKR1C3AKR1C2PTGS1
SCHEMBL2008925 0.82 AKR1C3 (0.43) KMT2AALDH1A1MEN1HPGDAKR1C3
SCHEMBL2006156 0.82 AKR1C3 (0.45) KMT2AMEN1AKR1C3AKR1C2PTGS1
SCHEMBL2004022 0.80 AKR1C3 (0.43) KMT2AMEN1AKR1C3AKR1C2PTGS1
SCHEMBL2004782 0.80 AKR1C3 (0.41) AKR1C3AKR1C2PTGS1PTGS2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 — — US 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
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 — — 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-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 KMT2A 2413/4885ALDH1A1 1494/4885HSD17B10 1609/4885
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH FAAH2, FAAH, PTGES2 KMT2A 2147/4885ALDH1A1 970/4885HSD17B10 1119/4885

“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.