SCHEMBL20128211

SCHEMBL20128211

C=CCC(C(=O)OCC)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
NAMPT P43490 2/20 0.42
CDC7 O00311 4/20 0.40
DBF4 Q9UBU7 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SNCA P37840 1/20 0.38
CASP1 P29466 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP17A1 P05093 1/20 0.37
FFAR2 O15552 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL20128213 0.86 NAMPT (0.43) NAMPTCDC7DBF4SMN1; SMN2LMNA
SCHEMBL8669701 0.84 CYP2C19 (0.65) CYP2C19SMN1; SMN2LMNAMAPTGAA
SCHEMBL23688606 0.84 CYP2C19 (0.65) CYP2C19SMN1; SMN2LMNAMAPTGAA
SCHEMBL23688603 0.84 CYP2C19 (0.65) CYP2C19SMN1; SMN2LMNAMAPTGAA
SCHEMBL28532831 0.82 CYP19A1 (0.49) NAMPTCDC7DBF4SMN1; SMN2LMNA
SCHEMBL23886510 0.81 NAMPT (0.46) CYP2C19NAMPTCDC7DBF4SMN1; SMN2
SCHEMBL27820224 0.79 CYP2C19 (0.43) CYP2C19FFAR2
SCHEMBL4007320 0.77 CYP2C19 (0.46) CYP2C19SMN1; SMN2LMNAHTTMAPT
SCHEMBL7492398 0.75 SLC6A3 (0.48) CYP2C19SMN1; SMN2LMNAHTTMAPT
SCHEMBL6154370 0.75 MMP8 (0.51) NAMPTCDC7DBF4CASP1CYP19A1

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 10 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
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 CYP2C19 318/4885NAMPT 2491/4885CDC7 3150/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA CYP2C19 318/4885NAMPT 2491/4885CDC7 3150/4885

“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.