SCHEMBL17445833

SCHEMBL17445833

COC(=O)/C=C/CNC(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.43
TRPA1 O75762 1/20 0.40
MEN1 O00255 2/20 0.39
TP53 P04637 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17447410 0.90 POLB (0.39) KMT2APOLBTRPA1MEN1TP53
SCHEMBL17445849 0.75 ITGB3 (0.40) PKMSMN1; SMN2
SCHEMBL17445782 0.74 PTPN1 (0.52) KMT2APOLBMEN1NPSR1GAA
SCHEMBL27408796 0.73 KMT2A (0.44) KMT2ATRPA1NPSR1GAASMN1; SMN2
SCHEMBL17445796 0.73 CNR2 (0.42) KMT2APOLBMEN1NPSR1GAA
SCHEMBL17445823 0.73 KDM4E (0.40) KMT2APOLBMEN1GAASMN1; SMN2
SCHEMBL13201338 0.70 POLB (0.65) KMT2APOLBMEN1HSD17B10
SCHEMBL27500258 0.70 HCAR2 (0.41) KMT2APOLBTP53KEAP1NFE2L2
SCHEMBL13753926 0.70 KMT2A (0.45) KMT2APOLBMEN1TP53OPRM1
SCHEMBL15199085 0.70 KMT2A (0.45) KMT2APOLBMEN1TP53OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2019-04-30 US disclosed
US-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2017-06-01 US disclosed
US-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2017-06-01 US disclosed
US-9586890-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2017-03-07 US disclosed
US-9586890-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2017-03-07 US disclosed
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2016-01-21 US disclosed
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2016-01-21 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 (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-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, CUL1 KMT2A 2599/4885POLB 3357/4885TRPA1 4572/4885
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, UBQLN1 KMT2A 3105/4885POLB 3390/4885TRPA1 4343/4885
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NEDD4, STUB1, CUL1 KMT2A 2599/4885POLB 3357/4885TRPA1 4572/4885

“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.