SCHEMBL18591258

SCHEMBL18591258

Cc1ncc(-c2ccc3c(c2)c(S(C)(=O)=O)cn3CC(=O)OC(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GRIN2B Q13224 9/20 0.36
▸ SYK P43405 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CFD P00746 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ CACNA1B Q00975 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL25282966 0.84 CFD (0.44) KDM4EALDH1A1GRIN2BCFDMEN1
SCHEMBL29774878 0.84 ICMT (0.44) KDM4EALDH1A1GRIN2BCFD
SCHEMBL18554883 0.84 ICMT (0.44) KDM4EALDH1A1GRIN2BCFD
SCHEMBL29841188 0.82 TP53 (0.39) KDM4EALDH1A1SYKMEN1KMT2A
SCHEMBL18555010 0.82 TP53 (0.39) KDM4EALDH1A1SYKMEN1KMT2A
SCHEMBL18591259 0.79 SMN1; SMN2 (0.44) SYKMEN1KMT2A
SCHEMBL18554870 0.77 CA9 (0.41) KDM4EALDH1A1GRIN2BCFD
SCHEMBL18591225 0.75 ICMT (0.43) KDM4EALDH1A1GRIN2BDYRK1AWNT1
SCHEMBL29545307 0.75 PKM (0.39) KDM4EALDH1A1SYKCFDGPR119
SCHEMBL17024802 0.75 PKM (0.39) KDM4EALDH1A1SYKCFDGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 — — US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 — — 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 (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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 KDM4E 4387/4885ALDH1A1 1682/4885GRIN2B 3244/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 KDM4E 4286/4885ALDH1A1 1847/4885GRIN2B 3329/4885

“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.

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