SCHEMBL18156906

SCHEMBL18156906

CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(O)C(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
RORC P51449 12/20 0.60
ABCC9 O60706 1/20 0.58
ABCC8 Q09428 1/20 0.58
KCNJ11 Q14654 1/20 0.58
KCNJ8 Q15842 1/20 0.58
MAPT P10636 1/20 0.55
TRPV4 Q9HBA0 1/20 0.54
KCNJ6 P48051 1/20 0.51
KCNJ5 P48544 1/20 0.51
KCNJ3 P48549 1/20 0.51

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
SCHEMBL18151409 0.90 RORC (0.75) ALDH1A1RORCABCC9ABCC8KCNJ11
SCHEMBL18156899 0.87 RORC (0.64) RORC
SCHEMBL18156909 0.87 KCNJ6 (0.53) ALDH1A1RORCABCC9ABCC8KCNJ11
SCHEMBL17114491 0.86 RORC (0.80) RORC
SCHEMBL18156902 0.84 RORC (0.60) RORC
SCHEMBL18156903 0.83 RORC (0.69) RORC
SCHEMBL18156918 0.82 RORC (0.64) RORC
SCHEMBL16799539 0.81 RORC (0.63) RORC
SCHEMBL18151510 0.81 RORC (0.56) RORCMAPT
SCHEMBL18151624 0.77 RORC (0.60) ALDH1A1RORCABCC9ABCC8KCNJ11

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 ALDH1A1 1054/4885RORC 1/4885ABCC9 1946/4885

“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.