SCHEMBL23409072

SCHEMBL23409072

CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
DRD2 P14416 1/20 0.53
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GFER P55789 1/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL23409134 0.90 ALDH1A1 (0.52) TSHRALDH1A1KDM4EDRD2POLB
SCHEMBL25068885 0.88 ALDH1A1 (0.53) TSHRALDH1A1KDM4EDRD2POLB
SCHEMBL23409102 0.85 ALDH1A1 (0.70) TSHRALDH1A1KDM4EDRD2POLB
SCHEMBL13770253 0.84 ALDH1A1 (0.55) TSHRALDH1A1KDM4EDRD2POLB
SCHEMBL16015253 0.83 HTT (0.63) TSHRALDH1A1POLBKMT2ACYP2C9
SCHEMBL3875081 0.83 KMT2A (0.56) TSHRALDH1A1KDM4EDRD2POLB
SCHEMBL21511688 0.82 KMT2A (0.49) TSHRALDH1A1KDM4EDRD2POLB
SCHEMBL18215347 0.82 TSHR (0.57) TSHRALDH1A1KDM4EDRD2POLB
SCHEMBL18215303 0.82 GLA (0.61) TSHRALDH1A1KDM4EDRD2POLB
SCHEMBL18215407 0.82 GLA (0.61) TSHRALDH1A1KDM4EDRD2POLB

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-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2023-02-23 US disclosed
WO-2022106897-A2 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS 2692372 ONTARIO, INC. (CA) 2022-05-27 WO disclosed
WO-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 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-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF FURIN, PFAS, CFTR TSHR 1067/4885ALDH1A1 1112/4885KDM4E 3846/4885

“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.