Sugi Predict

Sugi Predict / Compounds / SCHEMBL1197941

SCHEMBL1197941

SCHEMBL1197941

CCOC(=O)c1cnn(C(C)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ ACHE P22303 11/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39

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
SCHEMBL12277147 0.86 ACHE (0.55) CYP2C9CYP2C19ACHEALDH1A1TSHR
SCHEMBL1198561 0.85 ACHE (0.41) CYP2C9CYP2C19ACHEALDH1A1TSHR
SCHEMBL22036373 0.84 ACHE (0.62) CYP2C9CYP2C19ACHEALDH1A1TSHR
SCHEMBL3380597 0.82 ACHE (0.50) CYP2C9CYP2C19ACHEALDH1A1TSHR
SCHEMBL23212254 0.81 CYP1A2 (0.55) CYP2C9CYP2C19ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL949168 0.81 CYP1A2 (0.55) CYP2C9CYP2C19ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12913218 0.81 CYP1A2 (0.55) CYP2C9CYP2C19ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29014777 0.79 ACHE (0.48) CYP2C9CYP2C19ACHEALDH1A1TSHR
SCHEMBL31352301 0.79 FDFT1 (0.42) CYP2C9CYP2C19ACHEALDH1A1CYP1A2
SCHEMBL5106095 0.79 CYP1A2 (0.47) CYP2C9CYP2C19ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102056907-B Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2014-12-31 — — CN disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 — — CN disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — EP 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A CYP2C9 299/4885CYP2C19 235/4885ACHE 753/4885

“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.