SCHEMBL21817786

SCHEMBL21817786

COC(=O)c1cc(C)cc(-c2ccc(F)cc2C(F)(F)F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 5/20 0.43
▸ PDK2 Q15119 1/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ SOS1 Q07889 1/20 0.38
▸ WDR5 P61964 2/20 0.37
▸ ALPL P05186 1/20 0.36
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 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
SCHEMBL21817978 0.83 WDR5 (0.41) CFTRPDK2SLC6A4SLC6A3NOTUM
SCHEMBL21817512 0.79 S1PR1 (0.40) CFTRPDK2SLC6A4SLC6A3WDR5
SCHEMBL695717 0.77 CFTR (0.51) CFTRPDK2SLC6A4SLC6A3NOTUM
SCHEMBL2359095 0.75 NR4A2 (0.41) CFTRPDK2SLC6A4SLC6A3ALPL
SCHEMBL696154 0.74 NOTUM (0.51) CFTRPDK2SLC6A4SLC6A3NOTUM
SCHEMBL21817632 0.74 CFTR (0.40) CFTRCYP46A1SLC6A4SLC6A3SOS1
SCHEMBL21818060 0.74 WDR5 (0.65) WDR5
SCHEMBL4053766 0.73 KDM4E (0.52) CFTRCYP46A1NOTUMAKR1C3AKR1C2
SCHEMBL27016089 0.72 CYP46A1 (0.51) CFTRPDK2CYP46A1SLC6A4SLC6A3
SCHEMBL18159377 0.71 CYP46A1 (0.53) CFTRCYP46A1NOTUMSOS1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 — — US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 — — 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 CFTR 2542/4885PDK2 3351/4885CYP46A1 3190/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 CFTR 2444/4885PDK2 3379/4885CYP46A1 3214/4885

“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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