SCHEMBL20131490

SCHEMBL20131490

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
USP30 Q70CQ3 3/20 0.34
TDP2 O95551 1/20 0.34
CETP P11597 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
UCHL1 P09936 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL20131503 0.89 CA12 (0.32) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL20153621 0.86 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL20131461 0.85 RORC (0.39) ALDH1A1KDM4ECETP
SCHEMBL20153524 0.77 GAA (0.35) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL17792475 0.74 USP30 (0.44) KDM4EUSP30UCHL1FPR2
SCHEMBL8209429 0.74 USP30 (0.40) KDM4EUSP30UCHL1FPR2
SCHEMBL31661168 0.73 USP30 (0.41) USP30UCHL1FPR2
SCHEMBL29651117 0.70 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL25072455 0.69 ALDH1A1 (0.39) MEN1KMT2AALDH1A1GAA
SCHEMBL28743914 0.67 KDM1A (0.41) MEN1KMT2AALDH1A1KDM4EGAA

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 MEN1 4313/4885KMT2A 2753/4885ALDH1A1 991/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA MEN1 4313/4885KMT2A 2753/4885ALDH1A1 991/4885

“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.