SCHEMBL20128067

SCHEMBL20128067

CC(C)(O)Cn1nnnc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
FAAH O00519 1/20 0.31
RORC P51449 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6948864 0.77 NPC1 (0.48) MAPK1NPC1ALDH1A1SMN1; SMN2
SCHEMBL18471210 0.73 MAPK1 (0.44) MAPK1ALDH1A1SMN1; SMN2
SCHEMBL4142949 0.73 ALDH1A1 (0.47) MAPK1NPC1ALDH1A1HPGD
SCHEMBL18518427 0.73 CYP1A2 (0.50) MAPK1ALDH1A1SMN1; SMN2
SCHEMBL6579797 0.73 MAPK1 (0.38) MAPK1NPC1ALDH1A1HPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL9386542 0.72 NPC1 (0.45) MAPK1NPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6580324 0.70 MAPK1 (0.42) MAPK1NPC1ALDH1A1
SCHEMBL8923623 0.69 HCAR3 (0.40) MAPK1FAAHALDH1A1
SCHEMBL16199152 0.69 RAB9A (0.41) MAPK1NPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9111798 0.69 HCAR3 (0.46) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110278711-B Tricyclosulfones as rory modulators 百时美施贵宝公司 2023-12-15 CN disclosed
US-10435369-B2 Tricyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
CN-110278711-A TRICYCLIC SULFONES AS ROR GAMMA MODULATORS 百时美施贵宝公司 2019-09-24 CN disclosed
WO-2018089402-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-05-10 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 MAPK1 2113/4885NPC1 1905/4885FAAH 1509/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA MAPK1 2113/4885NPC1 1905/4885FAAH 1509/4885

“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.