SCHEMBL20131503

SCHEMBL20131503

CCOC(=O)[C@@H]1CC[C@H]2c3ccc(I)cc3N(C(=O)OC(C)(C)C)C[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PDE4B Q07343 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
LGMN Q99538 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL20131490 0.89 MEN1 (0.35) CA12CA1CA2CA9MEN1
SCHEMBL20131461 0.85 RORC (0.39) KDM4EALDH1A1PDE4BPDE4APDE4C
SCHEMBL20153524 0.77 GAA (0.35) CA12CA1CA2CA9MEN1
SCHEMBL20153621 0.75 MEN1 (0.36) CA12CA1CA2CA9MEN1
SCHEMBL29651117 0.70 ALDH1A1 (0.39) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL20128056 0.69 RORC (0.53)
SCHEMBL28743914 0.67 KDM1A (0.41) MEN1KMT2AKDM4EALDH1A1PDE4D
SCHEMBL8565122 0.67 KDM1A (0.41) MEN1KMT2AKDM4EALDH1A1PDE4D
SCHEMBL17037848 0.65 CHRM2 (0.40) KDM4EALDH1A1MAPTGPR119
SCHEMBL18971977 0.64 TACR1 (0.47) GPR119

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-10435369-B2 Tricyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-05-10 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-10435369-B2 Tricyclic sulfones as ROR gamma modulators RORC, RORB, RORA CA12 729/4885CA1 324/4885CA2 819/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA CA12 729/4885CA1 324/4885CA2 819/4885

“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.