SCHEMBL20153617

SCHEMBL20153617

O=C(O)CC1(O)CCSC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRB2 P47870 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL3019549 0.73
SCHEMBL20077599 0.72 LMNA (0.33) LMNA
SCHEMBL6127946 0.72
SCHEMBL11577238 0.71 USP2 (0.38) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2941358 0.69 CYP2C19 (0.52) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL322137 0.69
SCHEMBL7621677 0.68 CYP1A2 (0.64) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1555451 0.67 CYP2C19 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL304486 0.67 CYP2C19 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL27683934 0.67 CYP2C19 (0.56) USP2ALDH1A1LMNACYP1A2TSHR

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 3 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
CN-110049985-B Heterocyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2022-05-31 CN disclosed
WO-2018089402-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed