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SCHEMBL17445773

SCHEMBL17445773

CC(=O)/C=C/CNC(=O)c1c(C)n(C2CCCC2)c2ccc(C)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ USP14 P54578 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ PLD2 O14939 1/20 0.32
▸ PLD1 Q13393 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EZH2 Q15910 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
SCHEMBL17445765 0.99 GAA (0.52) GAAALDH1A1MEN1KMT2AUSP14
SCHEMBL17445774 0.96 GAA (0.44) GAAALDH1A1MEN1KMT2AUSP14
SCHEMBL17445759 0.84 POLB (0.41) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL17445761 0.82 GAA (0.47) GAAALDH1A1MEN1KMT2AUSP14
SCHEMBL18596381 0.81 GAA (0.44) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL17447385 0.81 GAA (0.44) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL17445853 0.80 GAA (0.44) GAAALDH1A1MEN1KMT2AUSP14
SCHEMBL17438101 0.80 GAA (0.46) GAAALDH1A1MEN1KMT2AUSP14
SCHEMBL18910590 0.76 GAA (0.41) GAAALDH1A1MEN1KMT2AUSP14
SCHEMBL18905210 0.76 GAA (0.41) GAAALDH1A1MEN1KMT2AUSP14

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-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-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 (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-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 GAA 1404/4885ALDH1A1 1314/4885MEN1 2112/4885
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 GAA 630/4885ALDH1A1 2967/4885MEN1 2241/4885

“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.