Sugi Predict

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SCHEMBL3004476

SCHEMBL3004476

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.53
▸ SMARCA2 P51531 6/20 0.39
▸ SMARCA4 P51532 5/20 0.39
▸ PTGS1 P23219 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NR2E1 Q9Y466 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ BRAF P15056 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL4100627 0.94 FAAH (0.45) FAAHSMARCA2SMARCA4NR2E1EPHX2
SCHEMBL4083379 0.94 FAAH (0.53) FAAHSMARCA2SMARCA4PTGS1PTGDR2
SCHEMBL4384201 0.93 FAAH (0.53) FAAHSMARCA2SMARCA4PTGS1PTGDR2
SCHEMBL3000300 0.91 FAAH (0.43) FAAHSMARCA2SMARCA4EPHX2BRAF
SCHEMBL3004382 0.91 FAAH (0.49) FAAHNR2E1EPHX2TP53USP2
SCHEMBL3109302 0.90 FAAH (0.65) FAAHSMARCA2SMARCA4TP53SMN1; SMN2
SCHEMBL3006995 0.90 FAAH (0.48) FAAHSMARCA2SMARCA4PTGDR2TP53
SCHEMBL4100722 0.89 FAAH (0.47) FAAHSMARCA2SMARCA4NR2E1EPHX2
SCHEMBL4083926 0.89 LMNA (0.41) FAAHSMARCA2SMARCA4EPHX2THRB
SCHEMBL3007953 0.89 FAAH (0.57) FAAHSMARCA2SMARCA4PTGS1PTGDR2

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 9 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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 — — CN 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-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 — — 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 (4 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 FAAH 2/4885SMARCA2 1537/4885SMARCA4 2186/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 FAAH 109/4885SMARCA2 3712/4885SMARCA4 3782/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885SMARCA2 3628/4885SMARCA4 3790/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885SMARCA2 3375/4885SMARCA4 3200/4885

“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.