Sugi Predict

Sugi Predict / Compounds / SCHEMBL4042415

SCHEMBL4042415

SCHEMBL4042415

CCOC(=O)c1c[nH]cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ ALDH1A1 P00352 11/20 0.54
▸ ADORA3 P0DMS8 1/20 0.52
▸ SMN1; SMN2 Q16637 7/20 0.51
▸ MAPT P10636 5/20 0.50
▸ HPGD P15428 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ JAK2 O60674 2/20 0.50
▸ JAK3 P52333 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ATM Q13315 1/20 0.49

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
SCHEMBL320357 0.89 TSHR (0.53) TSHRALDH1A1ADORA3SMN1; SMN2MAPT
SCHEMBL2673120 0.87 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL4491165 0.84 ALDH1A1 (0.55) TSHRALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL8665022 0.84 PRKCZ (0.52) TSHRALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6164247 0.84 HTT (0.50) TSHRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL6976375 0.84 TSHR (0.46) TSHRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL30449056 0.84 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL4527107 0.83 ALDH1A1 (0.64) TSHRALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL30407 0.83 JAK2 (0.56) TSHRALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6164316 0.83 RAB9A (0.56) TSHRALDH1A1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348568-A perylene-BODIPY ternary compounds for horticultural use 日东电工株式会社 2023-06-27 — — CN disclosed
US-11566025-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-01-31 — — US disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 — — US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 — — US disclosed
CN-105283451-B Novel inhibitors of viral replication 鲁汶天主教大学 2021-01-26 — — CN disclosed
EP-2978753-B1 NOVEL VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2020-08-12 — — EP disclosed
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2020-07-16 — — US disclosed
US-10633378-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-04-28 — — US disclosed
US-20160297810-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-10-13 — — US disclosed
EP-2978753-A1 NOVEL VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2016-02-03 — — EP disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 — — US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 — — US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 — — EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 — — EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 — — US disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 — — WO disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 — — EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 — — EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 — — WO 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 (8 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-11566025-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 TSHR 4827/4885ALDH1A1 4277/4885ADORA3 2999/4885
US-20160297810-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, IRF3 TSHR 4803/4885ALDH1A1 4494/4885ADORA3 3304/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 TSHR 1494/4885ALDH1A1 1255/4885ADORA3 4252/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 TSHR 1494/4885ALDH1A1 1255/4885ADORA3 4252/4885
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 TSHR 1446/4885ALDH1A1 2328/4885ADORA3 2866/4885
US-10633378-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 TSHR 4827/4885ALDH1A1 4277/4885ADORA3 2999/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 TSHR 1446/4885ALDH1A1 2328/4885ADORA3 2866/4885
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, IRF3 TSHR 4803/4885ALDH1A1 4494/4885ADORA3 3304/4885

“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.