SCHEMBL3058684

SCHEMBL3058684

Cc1nc(-c2ccc(C(F)(F)F)cc2)nn1CCC(C)(C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LIPE Q05469 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TDP2 O95551 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
TP53 P04637 1/20 0.36
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSP90AA1 P07900 2/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL4427852 0.89 TP53 (0.37) ALDH1A1LMNATP53NPC1KDM4E
SCHEMBL3058686 0.89 F2 (0.39) BCHEACHELIPEALDH1A1JAK2
SCHEMBL3050933 0.87 NR1H3 (0.42) BCHEACHELIPEALDH1A1LMNA
SCHEMBL3060864 0.83 XPO1 (0.32)
SCHEMBL4850742 0.81 ALDH1A1 (0.42) BCHEACHELIPEALDH1A1LMNA
SCHEMBL1037764 0.78 TDP2 (0.43) BCHEACHELIPEALDH1A1LMNA
SCHEMBL3049169 0.73 HSD17B10 (0.41) BCHEACHELIPEALDH1A1LMNA
SCHEMBL3051245 0.70 TP53 (0.41) ALDH1A1LMNATP53NPC1KDM4E
SCHEMBL4020084 0.69 RAB9A (0.44) BCHEACHELIPEALDH1A1NPC1
SCHEMBL3049145 0.68 NR1H3 (0.44) BCHEACHELIPEALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 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-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES NDUFA1, NDUFA6, NDUFA3 BCHE 910/4885ACHE 908/4885LIPE 3185/4885
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION ADRB1, ADRA1A, ADRB2 BCHE 1010/4885ACHE 722/4885LIPE 2404/4885

“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.