SCHEMBL2190991

SCHEMBL2190991

CCOC(=O)C(OC)c1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPN1 P15169 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL2194032 0.83 CPN1 (0.47) CPN1CPB2SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL17724586 0.82 KDM4E (0.51) SMN1; SMN2MMP8LMNATDP1MEN1
SCHEMBL6163227 0.81 SMN1; SMN2 (0.48) CPN1CPB2SMN1; SMN2CYP3A4TP53
SCHEMBL20839665 0.81 CPN1 (0.46) CPN1CPB2SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL1366779 0.81 CPN1 (0.53) CPN1CPB2SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL1104877 0.81 CPN1 (0.53) CPN1CPB2SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL30573232 0.81 CPN1 (0.53) CPN1CPB2SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL1366777 0.81 CPN1 (0.53) CPN1CPB2SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL2312705 0.80 MMP8 (0.54) SMN1; SMN2L3MBTL1MMP8LMNAALDH1A1
SCHEMBL12951609 0.80 MMP8 (0.54) SMN1; SMN2L3MBTL1MMP8LMNAALDH1A1

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-1486491-B1 CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-07-13 — — EP disclosed
US-7351705-B2 Carboxylic acid compounds and a pharmaceutical agent comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 — — US disclosed
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 — — US disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 — — 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-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient UACA, CPA3, HCAR1 CPN1 34/4885CPB2 251/4885SMN1; SMN2 3980/4885

“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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