SCHEMBL4947357

SCHEMBL4947357

CCOC(=O)c1n[nH]c2c1CN(S(=O)(=O)c1ccc(F)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL4946816 0.83 PKM (0.43) ALDH1A1MAPTLMNAGAAPKM
SCHEMBL2702631 0.71 PSEN1 (0.56) ALDH1A1NOD2NOD1MAPTCYP1A2
SCHEMBL4281894 0.70 TDP1 (0.46) GAAPKMTSHRKMT2ARAB9A
SCHEMBL25967025 0.69 CCNA2 (0.44) NPSR1ALDH1A1NOD2NOD1MAPT
SCHEMBL4944611 0.69 KDM4E (0.47) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL18366388 0.68 POLB (0.41) MAPTLMNANPC1RAB9A
SCHEMBL6795432 0.68 ALDH1A1 (0.65) NPSR1ALDH1A1CYP2C9MAPTGAA
SCHEMBL25343974 0.67 RBP4 (0.44) ALDH1A1MAPTKMT2A
SCHEMBL4948572 0.67 ELANE (0.44) ALDH1A1MAPTALOX15KMT2A
SCHEMBL12267802 0.66 KMT2A (0.51) ALDH1A1CYP2C9NOD2NOD1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 — — EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 — — EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 — — WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 — — 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 (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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 NPSR1 3465/4885ALDH1A1 204/4885CYP2C9 6/4885

“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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