SCHEMBL14830882

SCHEMBL14830882

O=CC(NC(=O)O)c1ccc(Cl)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GRIK1 P39086 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
SCHEMBL15952194 0.87 S1PR3 (0.39) S1PR3KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15952137 0.80 TRPA1 (0.40) S1PR3KDM4ESMN1; SMN2ALDH1A1PPARA
SCHEMBL14847520 0.80 TRPA1 (0.40) S1PR3KDM4ESMN1; SMN2ALDH1A1PPARA
SCHEMBL1343907 0.78 MEN1 (0.46) S1PR3KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15951835 0.74 HDAC4 (0.43) SMN1; SMN2MEN1KMT2ACYP1A2CYP2D6
SCHEMBL15952806 0.72 S1PR3 (0.38) S1PR3KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL18698793 0.72 S1PR3 (0.36) S1PR3KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15960280 0.70 LMNA (0.40) S1PR3KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15952356 0.70 S1PR3 (0.38) S1PR3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15952358 0.70 S1PR3 (0.38) S1PR3SMN1; SMN2MEN1KMT2AALDH1A1

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
EP-2760845-B1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2016-11-16 — — EP disclosed
US-9376425-B2 Heterocyclic compounds as MDM2 inhibitors for the treatment of cancer AMGEN, INC. (US) 2016-06-28 — — US disclosed
US-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. 2014-08-21 — — US disclosed
EP-2760845-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2014-08-06 — — EP disclosed
WO-2013049250-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2013-04-04 — — WO 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-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A S1PR3 4031/4885KDM4E 2215/4885SMN1; SMN2 2972/4885

“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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