SCHEMBL26939102

SCHEMBL26939102

CCc1cc(C(C)(F)F)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.45
▸ ESR1 P03372 9/20 0.42
▸ ESR2 Q92731 6/20 0.42
▸ AR P10275 2/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ HSD11B1 P28845 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ KLF10 Q13118 1/20 0.32
▸ VDR P11473 2/20 0.32

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
SCHEMBL20826225 0.88 KIF11 (0.45) KIF11ESR1ESR2ARHSD11B1
SCHEMBL20811730 0.86 DAO (0.40) KIF11ESR1ESR2ARTAS1R3
SCHEMBL10268650 0.86 KIF11 (0.46) KIF11ESR1ESR2S1PR1DAO
SCHEMBL29335336 0.83 KIF11 (0.47) KIF11ESR1ESR2AR
SCHEMBL14041015 0.81 PTPN5 (0.42) KIF11TAS1R3TAS1R1
SCHEMBL18899605 0.80 ESR1 (0.46) KIF11ESR1ESR2ARKLF10
SCHEMBL15746150 0.79 KIF11 (0.42) KIF11ESR1ESR2ARHSD11B1
SCHEMBL14748164 0.78 ALDH1A1 (0.40) KIF11ESR1ESR2AR
SCHEMBL11932055 0.77 ESR1 (0.38) KIF11ESR1ESR2TAS1R3TAS1R1
SCHEMBL11932057 0.76 ALDH1A1 (0.38) KIF11ESR1ESR2ARTAS1R3

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-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 — — 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-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 KIF11 1881/4885ESR1 3981/4885ESR2 4394/4885

“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.

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