Sugi Predict

Sugi Predict / Compounds / SCHEMBL5558739

SCHEMBL5558739

SCHEMBL5558739

Cc1c(CC(=O)O)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 10/20 0.57
▸ AKR1C2 P52895 10/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ PTGS1 P23219 3/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ PTGDR2 Q9Y5Y4 3/20 0.43
▸ PTGDR Q13258 2/20 0.43
▸ ABCB1 P08183 2/20 0.42
▸ PTGIR P43119 1/20 0.41
▸ AKR1C4 P17516 2/20 0.41
▸ AKR1C1 Q04828 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL6425939 0.90 PLA2G2A (0.47) AKR1C3AKR1C2NPSR1LMNACYP1A2
SCHEMBL5554171 0.89 AKR1C3 (0.52) AKR1C3AKR1C2NPSR1LMNACYP1A2
SCHEMBL6465001 0.89 AKR1C3 (0.46) AKR1C3AKR1C2NPSR1LMNACYP1A2
SCHEMBL5558859 0.89 AKR1C3 (0.46) AKR1C3AKR1C2NPSR1LMNACYP1A2
SCHEMBL6424911 0.89 AKR1C3 (0.45) AKR1C3AKR1C2NPSR1LMNACYP1A2
SCHEMBL5798095 0.88 AKR1C3 (0.45) AKR1C3AKR1C2NPSR1LMNACYP1A2
SCHEMBL5555389 0.87 AKR1C3 (0.54) AKR1C3AKR1C2NPSR1LMNACYP1A2
SCHEMBL5801149 0.87 AKR1C3 (0.43) AKR1C3AKR1C2NPSR1LMNATSHR
SCHEMBL5800887 0.86 AKR1C3 (0.46) AKR1C3AKR1C2NPSR1LMNACYP1A2
SCHEMBL5559334 0.86 AKR1C3 (0.44) AKR1C3AKR1C2NPSR1LMNACYP1A2

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-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 — — US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 — — US disclosed
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 — — EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 — — WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 — — EP disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 — — US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 — — 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-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 AKR1C3 1000/4885AKR1C2 862/4885NPSR1 399/4885
US-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 AKR1C3 585/4885AKR1C2 342/4885NPSR1 1425/4885

“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.