Sugi Predict

Sugi Predict / Compounds / SCHEMBL1605613

SCHEMBL1605613

SCHEMBL1605613

CC1SC(N[C@@H](C)c2ccc(F)cc2)=NC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.42
▸ IDH1 O75874 5/20 0.38
▸ GPR55 Q9Y2T6 5/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ EGFR P00533 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ ATP1A1 P05023 1/20 0.35
▸ ATP1B1 P05026 1/20 0.35
▸ ATP1A3 P13637 1/20 0.35
▸ ATP1B2 P14415 1/20 0.35
▸ ATP1A2 P50993 1/20 0.35
▸ ATP1B3 P54709 1/20 0.35
▸ FXYD2 P54710 1/20 0.35
▸ ATP1A4 Q13733 1/20 0.35
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL1605153 0.85 TAAR1 (0.47) MAPKAPK2IDH1HTT
SCHEMBL14429382 0.84 MAPKAPK2 (0.41) MAPKAPK2IDH1GPR55EGFRP2RX3
SCHEMBL1606410 0.84 MAPKAPK2 (0.41) MAPKAPK2IDH1GPR55EGFRP2RX3
SCHEMBL1606487 0.84 MAPKAPK2 (0.41) MAPKAPK2IDH1GPR55EGFRP2RX3
SCHEMBL14429380 0.79 EGFR (0.39) MAPKAPK2IDH1GPR55EGFR
SCHEMBL1605884 0.78 MAPKAPK2 (0.45) MAPKAPK2IDH1
SCHEMBL14429820 0.76 ADRB2 (0.38) MAPKAPK2IDH1P2RX3HTT
SCHEMBL14429903 0.75 NPC1 (0.41) MAPKAPK2HTT
SCHEMBL13105914 0.74 KRAS (0.42) MAPKAPK2IDH1GPR55EGFR
SCHEMBL10285072 0.74 KRAS (0.42) MAPKAPK2IDH1GPR55EGFR

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 — — US disclosed
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 — — US disclosed
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 — — US disclosed
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 — — US disclosed
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 — — US disclosed
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 — — US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 — — US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 — — US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 — — US disclosed
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 — — US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 — — US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 — — US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 — — US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 — — US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 — — US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 — — US disclosed
WO-2007061600-A1 CATALYZED PROCESS OF MAKING C-5-SUBSTITUTED HETEROCYCLIC INHIBITORS OF 11ß-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN, INC. (US) 2007-05-31 — — WO disclosed
WO-2007061661-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2007-05-31 — — WO disclosed
US-20070117985-A1 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11beta-hydroxy steroid dehydrogenase type 1 AMGEN, INC. 2007-05-24 — — US disclosed
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2006-06-29 — — 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 (5 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-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 MAPKAPK2 4391/4885IDH1 188/4885GPR55 1853/4885
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 MAPKAPK2 3474/4885IDH1 191/4885GPR55 2676/4885
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 MAPKAPK2 4391/4885IDH1 188/4885GPR55 1853/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 MAPKAPK2 4391/4885IDH1 188/4885GPR55 1853/4885
US-20070117985-A1 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11beta-hydroxy steroid dehydrogenase type 1 SRD5A1, HSD11B1, HSD3B1 MAPKAPK2 3882/4885IDH1 94/4885GPR55 1087/4885

“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.