Sugi Predict

Sugi Predict / Compounds / SCHEMBL640722

SCHEMBL640722

SCHEMBL640722

CCC(C(=O)OC(C)(C)C)n1c(=O)n(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C#N)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CCR6 P51684 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ AR P10275 1/20 0.34
▸ TRPV4 Q9HBA0 2/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL639891 0.89 PTGDR2 (0.39) HCRTR1HCRTR2PTGDR2PTGDRCCR6
SCHEMBL640789 0.78 NR1H2 (0.38) PGRAR
SCHEMBL639664 0.77 HCRTR1 (0.39) HCRTR1HCRTR2PTGDR2PTGDRCCR6
SCHEMBL641632 0.73 ALDH1A1 (0.49) LMNAGAAPRMT5WDR77ALDH1A1
SCHEMBL641631 0.73 ALDH1A1 (0.49) LMNAGAAPRMT5WDR77ALDH1A1
SCHEMBL640260 0.73 KMT2A (0.41) HCRTR1HCRTR2CCR6
SCHEMBL639967 0.72 STS (0.41) HCRTR1HCRTR2CCR6ALDH1A1
SCHEMBL639757 0.72 KDM4D (0.40) HCRTR1HCRTR2CCR6
SCHEMBL639756 0.72 KDM4D (0.40) HCRTR1HCRTR2CCR6
SCHEMBL639755 0.72 KDM4D (0.40) HCRTR1HCRTR2CCR6

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 — — US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 — — US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 — — US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 — — US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 — — EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 — — 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 (2 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HCRTR1 951/4885HCRTR2 641/4885PTGDR2 40/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HCRTR1 951/4885HCRTR2 641/4885PTGDR2 40/4885

“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.