SCHEMBL24876709

SCHEMBL24876709

CCC(C)(C)c1ccc(C#N)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
MCL1 Q07820 1/20 0.44
AR P10275 2/20 0.43
CYP11B1 P15538 14/20 0.40
CYP11B2 P19099 14/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL22327549 0.84 MCL1 (0.47) MCL1ARNPC1LMNAMAPK1
SCHEMBL19464683 0.82 MCL1 (0.46) MCL1ARNPC1LMNAMAPK1
SCHEMBL495417 0.82 TRPV4 (0.52) TRPV4ARCYP11B1CYP11B2
SCHEMBL22023207 0.81 TRPV4 (0.41) TRPV4ARCYP11B1CYP11B2
SCHEMBL26124467 0.80 TRPV4 (0.50) TRPV4ARCYP11B1CYP11B2
SCHEMBL22021978 0.80 TRPV4 (0.43) TRPV4ARCYP11B1CYP11B2
SCHEMBL21466386 0.79 AR (0.58) TRPV4MCL1ARNPC1LMNA
SCHEMBL6474353 0.79 AR (0.49) TRPV4ARCYP11B1CYP11B2
SCHEMBL13496391 0.77 NPC1 (0.46) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL26394780 0.76 TRPV4 (0.46) TRPV4ARCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 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-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 TRPV4 4698/4885MCL1 1478/4885AR 4541/4885

“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.