SCHEMBL17000548

SCHEMBL17000548

Cc1nc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.52
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
LMNA P02545 3/20 0.47
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL16964168 0.93 MAPT (0.51) MAPTHPGDALDH1A1KMT2APIK3CD
SCHEMBL16964049 0.89 MAPT (0.54) MAPTHPGDALDH1A1KMT2APIK3CD
SCHEMBL16964226 0.88 ALDH1A1 (0.57) MAPTHPGDALDH1A1KMT2APIK3CD
SCHEMBL17000511 0.87 MAPT (0.52) MAPTHPGDALDH1A1KMT2APIK3CD
SCHEMBL16964173 0.83 MAPT (0.51) MAPTHPGDALDH1A1KMT2APIK3CD
SCHEMBL16964202 0.83 MAPT (0.53) MAPTHPGDALDH1A1KMT2APIK3CD
SCHEMBL16963677 0.82 CDK5 (0.41) MAPTALDH1A1KMT2APIK3CDPIK3CB
SCHEMBL19976448 0.82 ADRB3 (0.42) MAPTLMNANPSR1HTTTSHR
SCHEMBL16991074 0.81 MAPT (0.54) MAPTHPGDALDH1A1KMT2ALMNA
SCHEMBL19976509 0.81 KDM1A (0.39) MAPTKMT2APIK3CDPIK3CBPIK3CG

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-9920042-B2 Compounds for use in the treatment of mycobacterial infections UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2018-03-20 US disclosed
EP-2900638-B1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITÉ DE DROIT ET DE LA SANTÉ DE LILLE 2 (FR) 2017-01-04 EP disclosed
US-20150225388-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-08-13 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 (1 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-20150225388-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS C5, ALK, TYR MAPT 2146/4885HPGD 3110/4885ALDH1A1 2650/4885

“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.