Sugi Predict

Sugi Predict / Compounds / SCHEMBL1068024

SCHEMBL1068024

SCHEMBL1068024

COC(=O)C(N)CCC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ PEPD P12955 1/20 0.38
▸ LTA4H P09960 3/20 0.35
▸ HTT P42858 1/20 0.34
▸ KIF11 P52732 2/20 0.34
▸ SLC1A1 P43005 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ZDHHC7 Q9NXF8 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ TSHR P16473 1/20 0.31

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
SCHEMBL206673 1.00 CA1 (0.38) CA1CA2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL1068022 0.98 NOS2 (0.39) CA1CA2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL15666248 0.98 NOS2 (0.39) CA1CA2NOS2NOS3NOS1
SCHEMBL5192188 0.92 CA1 (0.40) CA1CA2NOS2NOS3NOS1
SCHEMBL5192181 0.92 CA1 (0.40) CA1CA2NOS2NOS3NOS1
SCHEMBL18109682 0.92 CA1 (0.40) CA1CA2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL15665037 0.90 CA1 (0.39) CA1CA2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL15665036 0.90 CA1 (0.39) CA1CA2NOS2NOS3NOS1
SCHEMBL18109446 0.88 CA1 (0.40) CA1CA2NOS2NOS3NOS1
SCHEMBL18109444 0.88 CA1 (0.40) CA1CA2NOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652167-B1 SPIROHEPTANYL HYDANTOINS AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-02 — — EP disclosed
EP-2914596-B1 HYDROXY SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE CARBOXAMIDES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma AG (DE) 2017-06-21 — — EP disclosed
EP-2914596-B1 HYDROXY SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE CARBOXAMIDES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma AG (DE) 2017-06-21 — — EP disclosed
EP-2914595-A1 CARBOXY-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS SOLUBLE GUANYLATE CYCLASE STIMULANTS Bayer Pharma Aktiengesellschaft (DE) 2015-09-09 — — EP disclosed
EP-2914596-A1 HYDROXY-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS SOLUBLE GUANYLATE CYCLASE STIMULANTS Bayer Pharma Aktiengesellschaft (DE) 2015-09-09 — — EP disclosed
US-8946215-B2 Hydroxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-02-03 — — US disclosed
US-8946215-B2 Hydroxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-02-03 — — US disclosed
US-8796305-B2 Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-05 — — US disclosed
US-8796305-B2 Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-05 — — US disclosed
US-8796305-B2 Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-05 — — US disclosed
US-20140128425-A1 Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 — — US disclosed
WO-2014068104-A1 HYDROXY-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS SOLUBLE GUANYLATE CYCLASE STIMULANTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 — — WO disclosed
WO-2014068095-A1 CARBOXY-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS SOLUBLE GUANYLATE CYCLASE STIMULANTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 — — WO disclosed
US-20140128424-A1 Hydroxy-substituted imidazo[1,2-a]-pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 — — US disclosed
US-20140128425-A1 Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 — — US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 — — EP disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 — — EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 — — US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 — — US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 — — 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 (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-20140128425-A1 Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use TNNI3, CPS1, AADAC CA1 2530/4885CA2 480/4885NOS2 1232/4885
US-20140128424-A1 Hydroxy-substituted imidazo[1,2-a]-pyridinecarboxamides and their use TNNI3, AADAC, TNNT2 CA1 3822/4885CA2 1365/4885NOS2 2007/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CA1 4305/4885CA2 2535/4885NOS2 1436/4885

“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.