Sugi Predict

Sugi Predict / Compounds / SCHEMBL5559451

SCHEMBL5559451

SCHEMBL5559451

CNC(=O)[C@H](C)c1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PLA2G7 Q13093 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 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
SCHEMBL5559455 1.00 CYP3A4 (0.35) CYP3A4PIK3CDPLA2G7ALDH1A1TSHR
SCHEMBL5560454 0.91 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2KCNK3KCNK9
SCHEMBL5560450 0.91 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2KCNK3KCNK9
SCHEMBL5560792 0.90 LMNA (0.34) CYP3A4PIK3CDPLA2G7ALDH1A1TSHR
SCHEMBL5560788 0.90 LMNA (0.34) CYP3A4PIK3CDPLA2G7ALDH1A1TSHR
SCHEMBL5559033 0.89 AKR1C3 (0.37) CYP3A4PIK3CDPLA2G7ALDH1A1TSHR
SCHEMBL5559038 0.89 AKR1C3 (0.37) CYP3A4PIK3CDPLA2G7ALDH1A1TSHR
SCHEMBL5560459 0.89 AKR1C3 (0.37) CYP3A4PIK3CDPLA2G7ALDH1A1TSHR
SCHEMBL5561061 0.88 PIK3CD (0.38) CYP3A4PIK3CDPLA2G7ALDH1A1TSHR
SCHEMBL5561066 0.88 PIK3CD (0.38) CYP3A4PIK3CDPLA2G7ALDH1A1TSHR

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-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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 — — US 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 CYP3A4 325/4885PIK3CD 2835/4885PLA2G7 31/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 CYP3A4 403/4885PIK3CD 2741/4885PLA2G7 33/4885

“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.