SCHEMBL20128213

SCHEMBL20128213

CCOC(=O)C(CC=O)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP1 P29466 1/20 0.38
CDC7 O00311 4/20 0.38
DBF4 Q9UBU7 4/20 0.38
CYP19A1 P11511 2/20 0.38
CYP17A1 P05093 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL20128211 0.86 CYP2C19 (0.45) NAMPTLMNAHTTSMN1; SMN2CASP1
SCHEMBL5936713 0.84 MMP8 (0.50) LMNASMN1; SMN2MAPTGAAKMT2A
SCHEMBL5780313 0.84 MMP8 (0.50) LMNASMN1; SMN2MAPTGAAKMT2A
SCHEMBL28532831 0.83 CYP19A1 (0.49) NAMPTLMNAHTTSMN1; SMN2CASP1
SCHEMBL10165351 0.83 KMT2A (0.46) LMNAHTTSMN1; SMN2MAPTGAA
SCHEMBL14445303 0.82 GAA (0.47) LMNASMN1; SMN2CASP1CYP19A1CYP17A1
SCHEMBL23886510 0.82 NAMPT (0.46) NAMPTLMNAHTTSMN1; SMN2CASP1
SCHEMBL23535218 0.81 L3MBTL1 (0.45) LMNAHTTSMN1; SMN2MAPTPOLB
SCHEMBL16893443 0.80 ALOX15 (0.45) LMNAHTTMAPTGAAKMT2A
SCHEMBL6141592 0.78 NAMPT (0.42) NAMPTLMNACASP1CDC7DBF4

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 12 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
EP-3541786-B1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP 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-10435369-B2 Tricyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
EP-3541786-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-25 EP 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
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
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 NAMPT 2491/4885LMNA 3927/4885HTT 4328/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA NAMPT 2491/4885LMNA 3927/4885HTT 4328/4885

“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.