Sugi Predict

Sugi Predict / Compounds / SCHEMBL10044797

SCHEMBL10044797

SCHEMBL10044797

COc1ccc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.43
▸ SCN9A Q15858 4/20 0.43
▸ HPGDS O60760 1/20 0.41
▸ AADAT Q8N5Z0 3/20 0.40
▸ ITGB2 P05107 1/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ ITGAL P20701 1/20 0.40
▸ NOS2 P35228 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSS P25774 1/20 0.38

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
SCHEMBL10044643 0.89 FPR2 (0.41) FPR2SCN9AHPGDSAADATITGB2
SCHEMBL10044801 0.89 AADAT (0.40) FPR2SCN9AAADATNOS2PIK3CA
SCHEMBL13305971 0.84 ACACB (0.41) FPR2SCN9AHPGDSAADATALDH1A1
SCHEMBL10044688 0.83 AADAT (0.39) SCN9AAADATNOS2MTORCTSS
SCHEMBL10044650 0.81 NOS2 (0.53) FPR2SCN9AAADATITGB2ICAM1
SCHEMBL10044652 0.81 GSK3B (0.45) AADATNOS2CTSS
SCHEMBL10044804 0.80 AADAT (0.39) AADATNOS2
SCHEMBL10044645 0.79 PIK3CA (0.42) AADATALDH1A1PIK3CAPIK3CDKMT2A
SCHEMBL10044646 0.78 PIK3CA (0.44) ALDH1A1PIK3CAPIK3CD
SCHEMBL10044787 0.78 F2 (0.37) AADATNOS2CTSS

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
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 — — US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 — — US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 — — US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 — — 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 (3 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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FPR2 2485/4885SCN9A 3942/4885HPGDS 412/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FPR2 2485/4885SCN9A 3942/4885HPGDS 412/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FPR2 2485/4885SCN9A 3942/4885HPGDS 412/4885

“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.