SCHEMBL21935952

SCHEMBL21935952

Cc1nn(-c2cccc(C(=O)O)c2)c(C)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
POLB P06746 4/20 0.69
L3MBTL1 Q9Y468 3/20 0.64
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
MYC P01106 1/20 0.51
HSPA1A P0DMV8 1/20 0.51
ALOX15 P16050 1/20 0.51
NR4A1 P22736 1/20 0.51
PTPN7 P35236 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
ENPP3 O14638 1/20 0.50
ALPL P05186 1/20 0.50

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
SCHEMBL25765389 0.89 MEN1 (0.57) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL27993299 0.85 L3MBTL1 (0.67) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL25765391 0.85 MEN1 (0.53) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL20502865 0.83 L3MBTL1 (0.52) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL30300462 0.82 KMT2A (0.51) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL21879499 0.82 KMT2A (0.51) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL21935208 0.82 L3MBTL1 (0.51) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL20502850 0.81 POLB (0.55) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL21935961 0.81 L3MBTL1 (0.62) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL27920190 0.80 MEN1 (0.65) MEN1KMT2APOLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
EP-3596067-B1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-06-07 EP disclosed
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2020-04-30 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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 MEN1 4838/4885KMT2A 4805/4885POLB 2738/4885
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC3 MEN1 4838/4885KMT2A 4807/4885POLB 2786/4885

“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.