Sugi Predict

Sugi Predict / Compounds / SCHEMBL1177006

SCHEMBL1177006

SCHEMBL1177006

[CH2]C(=O)NCc1cc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ LOXL2 Q9Y4K0 3/20 0.50
▸ ASIC3 Q9UHC3 1/20 0.50
▸ KDM4C Q9H3R0 1/20 0.49
▸ HDAC1 Q13547 2/20 0.46
▸ AGXT P21549 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ S1PR4 O95977 2/20 0.46
▸ S1PR5 Q9H228 2/20 0.46
▸ BCL2L1 Q07817 1/20 0.45

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
SCHEMBL1259370 0.84 CYP2A6 (0.58) CYP2A6ADRB2LOXL2ASIC3KDM4C
SCHEMBL1177441 0.84 CYP2A6 (0.63) CYP2A6ADRB2LOXL2ASIC3KDM4C
SCHEMBL18362009 0.81 CYP2A6 (0.59) CYP2A6ADRB2LOXL2ASIC3KDM4C
SCHEMBL19755639 0.80 CYP2A6 (0.58) CYP2A6ADRB2LOXL2ASIC3KDM4C
SCHEMBL13936942 0.77 CYP2A6 (0.58) CYP2A6ADRB2LOXL2ASIC3KDM4C
SCHEMBL24272310 0.77 PRSS12 (0.56) CYP2A6ADRB2LOXL2HDAC1HDAC3
SCHEMBL5350981 0.77 PRSS12 (0.53) CYP2A6ADRB2LOXL2ASIC3KDM4C
Hydrochloric Acid SCHEMBL4507360 0.76 CYP2A6 (0.57) CYP2A6ADRB2LOXL2ASIC3KDM4C
SCHEMBL1176901 0.75 CYP2A6 (0.64) CYP2A6ADRB2LOXL2ASIC3KDM4C
SCHEMBL1254283 0.74 CYP2A6 (1.00) CYP2A6ADRB2LOXL2ASIC3KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 — — US disclosed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 — — US disclosed
US-8168634-B2 Thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-05-01 — — US disclosed
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 — — EP disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 — — EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 — — US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 — — US disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 — — US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 — — US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 — — WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 — — EP disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 — — EP disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 — — US disclosed
WO-2008047109-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-24 — — WO disclosed
EP-1881827-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2008-01-30 — — EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 — — WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 — — WO disclosed
WO-2006114606-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2006-11-02 — — 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 (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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA CYP2A6 2110/4885ADRB2 2806/4885LOXL2 2293/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA CYP2A6 3030/4885ADRB2 2240/4885LOXL2 1378/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA CYP2A6 1774/4885ADRB2 3670/4885LOXL2 3278/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 CYP2A6 3116/4885ADRB2 2102/4885LOXL2 1516/4885

“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.