SCHEMBL2194032

SCHEMBL2194032

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPN1 P15169 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP3A4 P08684 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ ADRB2 P07550 2/20 0.41
▸ ADRB1 P08588 2/20 0.41
▸ ADRB3 P13945 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40

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
SCHEMBL6163227 0.85 SMN1; SMN2 (0.48) CPN1CPB2SMN1; SMN2CYP3A4TP53
SCHEMBL20839665 0.85 CPN1 (0.46) CPN1CPB2SMN1; SMN2CYP3A4TP53
SCHEMBL9136495 0.85 MMP8 (0.44) TP53MMP8CYP1A2ALDH1A1KDM4E
SCHEMBL5212783 0.83 KYNU (0.49) SMN1; SMN2MMP8LMNAADRB2ADRB1
SCHEMBL5212789 0.83 KYNU (0.49) SMN1; SMN2MMP8LMNAADRB2ADRB1
SCHEMBL9158035 0.83 KMT2A (0.47) CPN1CPB2CYP3A4ADRB2ADRB1
SCHEMBL9158042 0.83 KMT2A (0.47) CPN1CPB2CYP3A4ADRB2ADRB1
SCHEMBL21200033 0.83 CPN1 (0.44) CPN1CPB2SMN1; SMN2CYP3A4TP53
SCHEMBL2190991 0.83 CPN1 (0.44) CPN1CPB2SMN1; SMN2CYP3A4TP53
SCHEMBL28825411 0.82 MAPT (0.44) MMP8ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103889459-A bioorthogonal drug activation KONINKL PHILIPS NV 2014-06-25 — — CN disclosed
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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