SCHEMBL4933871

SCHEMBL4933871

CCOC(=O)C(C(=O)OCC)c1cc(C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
LMNA P02545 1/20 0.41
MMP8 P22894 1/20 0.40
NUDT1 P36639 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
UHRF1 Q96T88 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 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
SCHEMBL13044634 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL10528852 0.81 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL1604959 0.80 GAA (0.55) SMN1; SMN2MEN1KMT2AGAANOS3
SCHEMBL15999192 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL1162993 0.78 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL17331878 0.76 CASP1 (0.49) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL13044641 0.75 NOS3 (0.42) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL1433150 0.75 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL17427962 0.75 HTT (0.44) SMN1; SMN2MEN1KMT2AGAARAB9A
SCHEMBL12985766 0.75 MEN1 (0.43) SMN1; SMN2MEN1KMT2AGAARAB9A

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-9809588-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-07 US disclosed
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-10-12 US disclosed
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-14 US disclosed
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
CN-101080409-A 7-amino-6-hetaryl-1,2,4-triazolo[1,5-a]pyrimidine compounds and the use thereof for controlling pathogenic fungi BASF AG (DE) 2007-11-28 CN disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006122740-A2 7-AMINO-6-HETARYLIMIDAZOLO[1,2-A]PYRIMIDINE COMPOUNDS AND USE THEREOF FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-11-23 WO disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (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-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 SMN1; SMN2 2191/4885MEN1 1849/4885KMT2A 2651/4885
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 SMN1; SMN2 2191/4885MEN1 1849/4885KMT2A 2651/4885
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi CYP8B1, CBR3, HDHD5 SMN1; SMN2 4798/4885MEN1 3812/4885KMT2A 3561/4885

“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.