SCHEMBL19440250

SCHEMBL19440250

CCc1ccc(C(=O)NC(C)C)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL6415801 0.80 ALDH1A1 (0.58) ALDH1A1MAPTALOX5SMN1; SMN2GAA
SCHEMBL8252765 0.80 GAA (0.47) ALDH1A1MAPTHSD17B10HPGDGAA
SCHEMBL12121133 0.79 ALDH1A1 (0.47) ALDH1A1LMNAPOLBALOX5HPGD
SCHEMBL669282 0.78 RARB (0.54) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL7970254 0.78 ALOX5 (0.64) ALDH1A1ALOX5GAA
SCHEMBL17993972 0.78 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHTTALOX5
SCHEMBL25762484 0.78 TRPA1 (0.56) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL17658889 0.78 MCL1 (0.46) ALDH1A1LMNAMAPTALOX5GAA
SCHEMBL3345916 0.78 DGAT1 (0.54) ALDH1A1LMNAHTTPOLBALOX5
SCHEMBL23357241 0.77 OPRD1 (0.48) ALDH1A1POLBALOX5GAAPSMB5

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-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 — — US disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 — — EP disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 — — US disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 — — 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-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885LMNA 3018/4885MAPT 4883/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885LMNA 3018/4885MAPT 4883/4885

“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.

Send feedback