SCHEMBL4643135

SCHEMBL4643135

C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
BTK Q06187 1/20 0.37
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
EPHX2 P34913 1/20 0.34
GAA P10253 3/20 0.33
CACNA1H O95180 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
EPHX1 P07099 1/20 0.33
APLNR P35414 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL27872243 1.00 MEN1 (0.43) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL16409149 0.86 MEN1 (0.43) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL12557612 0.85 BTK (0.38) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL15424518 0.84 MAPK1 (0.42) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL20629740 0.84 MAPK1 (0.42) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL15424510 0.84 MAPK1 (0.42) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL2630592 0.84 KMT2A (0.42) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL18799610 0.83 MEN1 (0.41) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL28564855 0.81 KMT2A (0.40) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL9666907 0.80 KMT2A (0.39) MEN1KMT2AMAPK1BTKGAA

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-10450291-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound CENTRAL GLASS COMPANY, LIMITED (JP) 2019-10-22 US disclosed
US-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound CENTRAL GLASS COMPANY, LIMITED (JP) 2018-07-05 US disclosed
US-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
EP-1748043-B1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2008-08-20 EP disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7348344-B2 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2008-03-25 US disclosed
EP-1748043-A1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2007-01-31 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 (4 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-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 MEN1 2716/4885KMT2A 3727/4885MAPK1 1363/4885
US-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL MEN1 4801/4885KMT2A 4486/4885MAPK1 3159/4885
US-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound PFAS, FDPS, FIBP MEN1 2876/4885KMT2A 4361/4885MAPK1 2360/4885
US-10450291-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound PFAS, FDPS, FIBP MEN1 2876/4885KMT2A 4361/4885MAPK1 2360/4885

“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.