SCHEMBL24298656

SCHEMBL24298656

O=C(CCl)c1ccc(C2(C(F)(F)F)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
ALDH1A1 P00352 5/20 0.44
HIF1A Q16665 2/20 0.44
TRPA1 O75762 1/20 0.44
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
DRD2 P14416 7/20 0.36
ADRA1A P35348 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
CACNA1H O95180 1/20 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
SCHEMBL15505012 0.79 TSHR (0.46) ALDH1A1EPHX2NR1H4TP53SMN1; SMN2
SCHEMBL22685618 0.78 EPHX2 (0.40) EPHX2NR1H4KDM4CCACNA1HCYP3A4
SCHEMBL18291907 0.77 EPHX2 (0.42) MAPK1EPHX2NR1H4MAPTRAB9A
SCHEMBL22685480 0.76 CPT1B (0.44) EPHX2NR1H4KDM4CCACNA1HSIGMAR1
SCHEMBL21036244 0.73 CA1 (0.47) ALDH1A1MAPK1EPHX2NR1H4MAPT
SCHEMBL15956637 0.73 CA12 (0.51) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL21035484 0.73 CACNA1H (0.36) EPHX2NR1H4KDM4CCACNA1HCYP3A4
SCHEMBL11480265 0.73 GSK3B (0.80) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL29457879 0.72 DRD2 (0.41) ALDH1A1EPHX2NR1H4SMN1; SMN2DRD2
SCHEMBL17316499 0.71 CA2 (0.46) ALDH1A1CACNA1HCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
EP-4225446-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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 (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-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GSK3B 3412/4885ALDH1A1 3945/4885HIF1A 3701/4885

“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.