SCHEMBL21073503

SCHEMBL21073503

O=C1CCc2cc(S(=O)(=O)Nc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4F)cc3)ccc2N1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PKM P14618 16/20 0.62
PKLR P30613 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 1/20 0.52
RORC P51449 1/20 0.52

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
SCHEMBL21072988 0.93 RORC (0.52) PKMPKLRRORC
SCHEMBL21072963 0.86 BRD4 (0.57) RORC
SCHEMBL19165728 0.85 PKM (0.67) PKMPKLRL3MBTL1ALDH1A1
SCHEMBL21073154 0.84 RORC (0.51) PKMRORC
SCHEMBL21073145 0.83 PKM (0.55) PKMRORC
SCHEMBL21072961 0.81 RORC (0.50) PKMALDH1A1RORC
SCHEMBL21073158 0.80 RORC (0.63) RORC
SCHEMBL21073134 0.80 RORC (0.52) RORC
SCHEMBL21072953 0.78 NR1H3 (0.70) RORC
SCHEMBL2593870 0.78 PKM (1.00) PKMPKLRL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161837-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-03 US disclosed
US-20210161837-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-03 US disclosed
US-20190192454-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-27 US disclosed
US-20190192454-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-27 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-20190192454-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS RORA, RORB, RORC PKM 3347/4885PKLR 3016/4885L3MBTL1 3338/4885
US-20210161837-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS RORA, RORB, RORC PKM 3347/4885PKLR 3016/4885L3MBTL1 3338/4885

“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.