SCHEMBL20131552

SCHEMBL20131552

COC(=O)[C@@H]1C[C@@H](O)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL29156418 1.00 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL18215900 1.00 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL23677559 1.00 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL16229720 0.81 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL10410305 0.81 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL16229721 0.81 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL30233062 0.81 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL18593156 0.80 ALDH1A1 (0.40) KMT2A
SCHEMBL18204760 0.79 KMT2A (0.42) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL20077557 0.79 KMT2A (0.42) KMT2AMMP1MMP13CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106362-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed
CN-110278711-B Tricyclosulfones as rory modulators 百时美施贵宝公司 2023-12-15 CN disclosed
EP-3541786-B1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
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 KMT2A 2753/4885MMP1 4162/4885MMP13 3770/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA KMT2A 2753/4885MMP1 4162/4885MMP13 3770/4885

“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.