Sugi Predict

Sugi Predict / Compounds / SCHEMBL3452157

SCHEMBL3452157

SCHEMBL3452157

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1C(=O)O)CCCC2

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 3/20 0.75
▸ ALDH1A1 P00352 3/20 0.71
▸ HPGD P15428 3/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ MAPT P10636 8/20 0.60
▸ TP53 P04637 3/20 0.60
▸ LMNA P02545 6/20 0.58
▸ THRB P10828 2/20 0.58
▸ GAA P10253 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ TSHR P16473 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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
SCHEMBL3452935 0.94 GRM1 (0.68) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4152901 0.91 GRM1 (0.81) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3453104 0.88 GRM1 (0.70) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3452916 0.88 GRM1 (0.69) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3452562 0.87 GRM1 (0.68) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3452911 0.87 GRM1 (0.83) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL8223745 0.87 GRM1 (0.70) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3452270 0.87 GRM1 (0.68) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3451925 0.86 GRM1 (0.69) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3452607 0.86 GRM1 (1.00) GRM1ALDH1A1HPGDMEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041124-B1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS MSD OSS BV (NL) 2013-06-26 — — EP claimed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 — — US claimed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 — — US claimed
EP-2041124-B1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS MSD OSS BV (NL) 2013-06-26 — — EP disclosed
EP-2041124-B1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS MSD OSS BV (NL) 2013-06-26 — — EP disclosed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 — — US disclosed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 — — US disclosed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 — — US disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 — — US disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 — — US disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 — — US disclosed
WO-2008003452-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. ORGANON (NL) 2008-01-10 — — 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 (1 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-20080255086-A1 Heterocyclic Derivatives GRIN2C, GRIN3A, GRIN1 GRM1 25/4885ALDH1A1 453/4885HPGD 329/4885

“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.