SCHEMBL2852050

SCHEMBL2852050

CCOC(CC(=O)N1CCN(C(=O)OCc2ccccc2)CC1)OCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 7/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DPP4 P27487 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
GAA P10253 3/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.48

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
SCHEMBL2729488 0.88 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL20120512 0.85 ALDH1A1 (0.56) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7658562 0.84 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL20382951 0.84 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL15709327 0.83 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18282496 0.82 ALDH1A1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1CYP2C19
SCHEMBL7029573 0.81 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3970912 0.81 MEN1 (0.76) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4814264 0.81 MEN1 (0.76) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL379160 0.81 MEN1 (0.76) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1

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-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 CN disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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 (3 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 L3MBTL1 1646/4885SMN1; SMN2 3494/4885NPC1 1300/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 L3MBTL1 1440/4885SMN1; SMN2 2677/4885NPC1 902/4885
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS L3MBTL1 4299/4885SMN1; SMN2 3945/4885NPC1 3112/4885

“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.