SCHEMBL18156926

SCHEMBL18156926

CC(O)(c1ccc(NC(=O)Cc2cccc(S(=O)(=O)NC3CC3)c2)c(F)c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LMNA P02545 6/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 4/20 0.41
IDH2 P48735 4/20 0.40
SMYD3 Q9H7B4 1/20 0.39
RORC P51449 2/20 0.39
CYP2D6 P10635 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL18156925 0.92 PDK1 (0.45) PDK1PDK2PDK3PDK4LMNA
SCHEMBL18151612 0.91 RORC (0.44) PDK1PDK2PDK3PDK4CA1
SCHEMBL18156907 0.87 RORC (0.47) PDK1PDK2PDK3PDK4LMNA
SCHEMBL18156917 0.84 MAPT (0.47) PDK1PDK2PDK3PDK4LMNA
SCHEMBL18151205 0.84 RORC (0.46) PDK1PDK2PDK3PDK4LMNA
SCHEMBL18156924 0.82 LMNA (0.43) PDK1PDK2PDK3PDK4LMNA
SCHEMBL18151206 0.81 RORC (0.52) CA1CA2CA5ACA7CA5B
SCHEMBL18151519 0.79 RORC (0.54) LMNAALDH1A1TP53MAPTIDH2
SCHEMBL18156949 0.79 PDK1 (0.46) PDK1PDK2PDK3PDK4LMNA
SCHEMBL18156923 0.79 LMNA (0.43) PDK1PDK2PDK3PDK4LMNA

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-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 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-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB PDK1 3903/4885PDK2 4057/4885PDK3 3755/4885

“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.