SCHEMBL2839477

SCHEMBL2839477

C=C1C[C@H](CO)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SRC P12931 8/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TACR1 P25103 2/20 0.34

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
SCHEMBL584255 1.00 NR1H2 (0.41) NR1H2MEN1KMT2ASRCCHRM2
SCHEMBL2848749 1.00 NR1H2 (0.41) NR1H2MEN1KMT2ASRCCHRM2
SCHEMBL25569891 0.88 PARP1 (0.36) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL20554158 0.86 MEN1 (0.34) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL20554159 0.86 MEN1 (0.34) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL32667153 0.86 NR1H2 (0.40) NR1H2MEN1KMT2A
SCHEMBL8936130 0.83 NR1H2 (0.42) NR1H2MEN1KMT2ASRCCHRM2
SCHEMBL18700387 0.82 TSHR (0.33) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL585388 0.81 MEN1 (0.32) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL585387 0.81 MEN1 (0.32) NR1H2MEN1KMT2ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240390340-A1 PYRROLIDINE KRAS INHIBITORS INCYTE CORP (US) 2024-11-28 US disclosed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 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 (2 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-20240390340-A1 PYRROLIDINE KRAS INHIBITORS KRAS, NRAS, HRAS NR1H2 2168/4885MEN1 2067/4885KMT2A 3044/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 NR1H2 367/4885MEN1 3273/4885KMT2A 2428/4885

“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.