SCHEMBL381614

SCHEMBL381614

C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O.[N-]=[N+]=[N-]

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.88
RIN1 Q13671 8/20 0.88
PPARG P37231 5/20 0.88
NR2E3 Q9Y5X4 3/20 0.88
NCOR2 Q9Y618 2/20 0.88
IDE P14735 2/20 0.88
TDP1 Q9NUW8 11/20 0.85
ALDH1A1 P00352 5/20 0.53
NSD2 O96028 3/20 0.53
MAPK10 P53779 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HPGD P15428 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL13049464 0.94 ABL1 (1.00) ABL1RIN1PPARGNR2E3NCOR2
SCHEMBL14956497 0.94 ABL1 (1.00) ABL1RIN1PPARGNR2E3NCOR2
SCHEMBL143997 0.94 ABL1 (1.00) ABL1RIN1PPARGNR2E3NCOR2
SCHEMBL13079427 0.94 ABL1 (1.00) ABL1RIN1PPARGNR2E3NCOR2
SCHEMBL143996 0.94 ABL1 (1.00) ABL1RIN1PPARGNR2E3NCOR2
SCHEMBL9037713 0.94 ABL1 (1.00) ABL1RIN1PPARGNR2E3NCOR2
SCHEMBL19739348 0.92 ABL1 (0.97) ABL1RIN1PPARGNR2E3NCOR2
Ammonia Solution, Strong SCHEMBL5943165 0.92 ABL1 (0.97) ABL1RIN1PPARGNR2E3NCOR2
SCHEMBL9601528 0.92 TDP1 (1.00) ABL1RIN1PPARGNR2E3NCOR2
Iodoacetamide SCHEMBL20856939 0.87 ABL1 (0.81) ABL1RIN1PPARGNR2E3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691984-B2 Compounds and methods for DCAF-mediated protein degradation THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-04 US disclosed
US-20230121082-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING AZETIDINES UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-04-20 US disclosed
EP-3864030-A1 COMPOUNDS AND METHODS FOR DCAF-MEDIATED PROTEIN DEGRADATION The Scripps Research Institute (US) 2021-08-18 EP disclosed
US-20210101884-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING AZETIDINES UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-04-08 US disclosed
US-20200190105-A1 COMPOUNDS AND METHODS FOR DCAF-MEDIATED PROTEIN DEGRADATION THE SCRIPPS RESEARCH INSTITUTE 2020-06-18 US disclosed
WO-2019204740-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING AZETIDINES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2019-10-24 WO disclosed
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues UNIVERSITY OF NOTTINGHAM (GB) 2012-04-05 US disclosed
EP-2408783-A2 BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES University Of Nottingham (GB) 2012-01-25 EP disclosed
WO-2010106347-A2 BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES UNIVERSITY OF NOTTINGHAM (GB) 2010-09-23 WO 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 (5 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-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues BTD, URB2, RAET1L ABL1 2957/4885RIN1 1985/4885PPARG 2465/4885
US-20210101884-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING AZETIDINES DGKA, DGKK, PRKG2 ABL1 64/4885RIN1 297/4885PPARG 3145/4885
US-20200190105-A1 COMPOUNDS AND METHODS FOR DCAF-MEDIATED PROTEIN DEGRADATION DCAF1, CUL4A, DCAF15 ABL1 2648/4885RIN1 1116/4885PPARG 3523/4885
US-11691984-B2 Compounds and methods for DCAF-mediated protein degradation DCAF1, CUL4A, DCAF15 ABL1 2648/4885RIN1 1116/4885PPARG 3523/4885
US-20230121082-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING AZETIDINES DGKA, DGKK, PRKG2 ABL1 64/4885RIN1 297/4885PPARG 3145/4885

“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.