SCHEMBL9972997

SCHEMBL9972997

CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NAMPT P43490 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
PIK3CD O00329 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PDE4B Q07343 2/20 0.38
RORC P51449 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL19083300 1.00 NR1H2 (0.53) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL13098438 1.00 NR1H2 (0.53) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL14303506 0.91 NR1H2 (0.57) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL13940144 0.88 NR1H2 (0.49) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL3188002 0.88 NR1H2 (0.49) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL10305448 0.88 NR1H2 (0.59) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL500787 0.88 NR1H2 (0.59) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL19122974 0.88 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL4736582 0.88 NR1H2 (0.59) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL6505486 0.88 NR1H2 (0.59) NR1H2USP2SMN1; SMN2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-9994574-B2 Salt and polymorphic forms of (3R,4S)-L-((4-amino-5H-pyrrolo[3,2,-d]pyrimidin-7-yl)methyl)-4(methylthiomethyl)pyrodin-3-ol(MTDIA) VICTORIA LINK LIMITED (NZ) 2018-06-12 US disclosed
US-9957272-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2018-05-01 US disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 US disclosed
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-9493465-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2016-11-15 US disclosed
US-20150274741-A1 SALT AND POLYMORPHIC FORMS OF (3R,4S)-L-((4-AMINO-5H-PYRROLO[3,2,-D]PYRIMIDIN-7-YL)METHYL)-4(METHYLTHIOMETHYL)PYRODIN-3-OL(MTDIA) VICTORIA LINK LIMITED (NZ) 2015-10-01 US disclosed
US-20150210701-A1 TREATMENT OF HELICOBACTER PYLORI INFECTIONS ALBERTEINSTIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-07-30 US disclosed
US-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2012-06-21 US 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 (6 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-20150210701-A1 TREATMENT OF HELICOBACTER PYLORI INFECTIONS MTAP, TPMT, UNG NR1H2 4580/4885USP2 1032/4885SMN1; SMN2 4343/4885
US-20150274741-A1 SALT AND POLYMORPHIC FORMS OF (3R,4S)-L-((4-AMINO-5H-PYRROLO[3,2,-D]PYRIMIDIN-7-YL)METHYL)-4(METHYLTHIOMETHYL)PYRODIN-3-OL(MTDIA) MTAP, TPMT, TYMP NR1H2 4817/4885USP2 3965/4885SMN1; SMN2 1041/4885
US-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP NR1H2 3890/4885USP2 4047/4885SMN1; SMN2 1591/4885
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP NR1H2 3816/4885USP2 4059/4885SMN1; SMN2 1490/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 NR1H2 890/4885USP2 1985/4885SMN1; SMN2 2206/4885
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 NR1H2 703/4885USP2 830/4885SMN1; SMN2 4269/4885

“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.