Sugi Predict

Sugi Predict / Compounds / SCHEMBL8024443

SCHEMBL8024443

SCHEMBL8024443

CC(C)(C)[Si](OCc1cccc(CO)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ KDR P35968 1/20 0.36
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ PRKCI P41743 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ TOP2B Q02880 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 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
SCHEMBL31124766 0.91 TSHR (0.35) TSHRGPBAR1SMN1; SMN2TOP2ATOP2B
SCHEMBL9701319 0.89 TTR (0.37) KDRGPBAR1CYSLTR1
SCHEMBL8024035 0.89 CYP4F2 (0.46) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL8149467 0.87 GABRA1 (0.41) SMN1; SMN2GABRA1GABRG2GABRB3GABRA3
SCHEMBL2745018 0.86 PPARG (0.41) TSHRCYSLTR1
SCHEMBL8795972 0.85 TSHR (0.34) TSHRSMN1; SMN2HTT
SCHEMBL16818604 0.85 TACR1 (0.34) MRGPRX4TSHRSMN1; SMN2
SCHEMBL1314001 0.84 AGXT (0.42) TSHRSMN1; SMN2MAPTHTT
SCHEMBL5106543 0.84 CYP4F2 (0.42) TSHRKDRGPBAR1SMN1; SMN2CYP4F2
SCHEMBL4848468 0.84 CYP4F2 (0.41) CYP4F2CYP4A11

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689661-B Macrocyclic inhibitors of myeloperoxidase 百时美施贵宝公司 2021-10-15 — — CN disclosed
US-11091484-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2021-08-17 — — US disclosed
US-11091484-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2021-08-17 — — US disclosed
US-10442803-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2019-10-15 — — US disclosed
US-10442803-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2019-10-15 — — US disclosed
US-20180002334-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2018-01-04 — — US disclosed
US-20180002334-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2018-01-04 — — US disclosed
US-9777003-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-10-03 — — US disclosed
US-9777003-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-10-03 — — US disclosed
US-9777003-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-10-03 — — US disclosed
WO-2015095492-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-25 — — WO disclosed
WO-2015095492-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-25 — — WO disclosed
US-20150175604-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-25 — — US disclosed
US-20150175604-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-25 — — US disclosed
US-20150175604-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-25 — — US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 — — EP disclosed
WO-2000049020-A2 NOVEL EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACEUTICAL APPLICATION SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-24 — — WO disclosed
EP-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 — — EP disclosed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 — — US disclosed
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 — — EP 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 (4 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-20180002334-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MRGPRX4 3365/4885TSHR 1769/4885KDR 4211/4885
US-10442803-B2 Tricyclic heterocycles as bet protein inhibitors BRD1, BRD3, BRD2 MRGPRX4 3365/4885TSHR 1769/4885KDR 4211/4885
US-11091484-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 MRGPRX4 3365/4885TSHR 1769/4885KDR 4211/4885
US-20150175604-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MRGPRX4 3365/4885TSHR 1769/4885KDR 4211/4885

“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.