SCHEMBL15635368

SCHEMBL15635368

COC(OC)C(=O)CC(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ ALPL P05186 1/20 0.47
▸ CTNNB1 P35222 3/20 0.47
▸ WNT3A P56704 2/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ PKM P14618 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ P4HTM Q9NXG6 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GSK3B P49841 1/20 0.44

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
SCHEMBL852344 0.80 SMN1; SMN2 (0.57) GRM4ALDH1A1ALPLCTNNB1WNT3A
SCHEMBL253276 0.79 CES2 (0.64) GRM4ALDH1A1CTNNB1WNT3ASMN1; SMN2
SCHEMBL29355245 0.79 CES2 (0.64) GRM4ALDH1A1CTNNB1WNT3ASMN1; SMN2
SCHEMBL31607673 0.78 GRM4 (0.61) GRM4ALDH1A1ALPLCTNNB1WNT3A
SCHEMBL2914066 0.78 ALDH1A1 (0.50) GRM4ALDH1A1ALPLCTNNB1WNT3A
SCHEMBL29740682 0.76 ALDH1A1 (0.62) GRM4ALDH1A1CTNNB1WNT3ASMN1; SMN2
SCHEMBL1360847 0.76 ALDH1A1 (0.62) GRM4ALDH1A1CTNNB1WNT3ASMN1; SMN2
SCHEMBL5395082 0.76 ALDH1A1 (0.43) GRM4ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL33721999 0.76 CES2 (0.59) GRM4ALDH1A1CTNNB1WNT3ASMN1; SMN2
SCHEMBL2544523 0.76 CES2 (0.59) GRM4ALDH1A1CTNNB1WNT3ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 — — US disclosed
US-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 — — US disclosed
US-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 — — US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 — — US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 — — US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 — — US disclosed
EP-2903969-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2015-08-12 — — EP disclosed
WO-2014053665-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-04-10 — — 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-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses RPL35, EIF2AK2, POLRMT GRM4 4543/4885ALDH1A1 3351/4885ALPL 3677/4885

“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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