Sugi Predict

Sugi Predict / Compounds / SCHEMBL40995

SCHEMBL40995

SCHEMBL40995

C[S+]([O-])Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ CALM1 P0DP23 1/20 0.41
▸ TSHR P16473 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 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
SCHEMBL3387191 1.00 TP53 (0.43) TP53CALM1TSHRALDH1A1CES2
SCHEMBL15579733 1.00 TP53 (0.43) TP53CALM1TSHRALDH1A1CES2
SCHEMBL6868253 0.80 ALDH1A1 (0.44) TP53ALDH1A1IDO1LOXL2TDP1
Ethane SCHEMBL7199050 0.79 TP53 (0.43) TP53CALM1TSHRALDH1A1CES2
SCHEMBL340372 0.78 CALM1 (0.45) TP53CALM1TSHRALDH1A1CES2
Benzene SCHEMBL11030926 0.78 CALM1 (0.45) TP53CALM1TSHRALDH1A1CES2
SCHEMBL1109607 0.78 TP53 (0.48) TP53CALM1TSHRALDH1A1IDO1
SCHEMBL2603135 0.78 TP53 (0.48) TP53CALM1TSHRALDH1A1IDO1
SCHEMBL6765639 0.77 IDO1 (0.44) TP53ALDH1A1IDO1TDP1MAPT
SCHEMBL18780575 0.77 IDO1 (0.44) TP53ALDH1A1IDO1TDP1MAPT

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 1003 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080614-A Production process of difluoroethyl acetate 南通宝凯药业有限公司 2024-12-06 — — CN claimed
EP-4368621-A1 METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND Applied Pharmaceutical Science, Inc. (CN) 2024-05-15 — — EP claimed
CN-113707933-B Preparation method of solid electrolyte nano dispersion liquid of lithium ion battery and solid electrolyte nano dispersion liquid 浙江蓝珧新材料科技有限公司 2024-04-09 — — CN claimed
CN-117561259-A Preparation method of nitrogen-containing polycyclic condensed ring compound, intermediate and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-13 — — CN claimed
EP-3613724-B1 PROCESS FOR PREPARING (E2,Z6)-2,6-NONADIENAL SHINETSU CHEMICAL CO (JP) 2023-06-07 — — EP claimed
CN-115594678-A Preparation method of nitrogen-containing polycyclic fused ring compound, intermediate and application thereof 北京志健金瑞生物医药科技有限公司（CN） 2023-01-13 — — CN claimed
WO-2023280073-A1 METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND 北京志健金瑞生物医药科技有限公司 2023-01-12 — — WO claimed
CN-109824710-B Disiloxane organic compound and preparation method thereof 云南民族大学 2022-10-04 — — CN claimed
EP-3613732-B1 PROCESS FOR PREPARING (E2)-CIS-6,7-EPOXY-2-NONENAL SHINETSU CHEMICAL CO (JP) 2022-04-13 — — EP claimed
CN-113707933-A Preparation method of solid electrolyte nano dispersion liquid of lithium ion battery and solid electrolyte nano dispersion liquid 北京卫蓝新能源科技有限公司 2021-11-26 — — CN claimed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 — — EP claimed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 — — US claimed
JP-2002539191-A — — 2002-11-19 — — JP claimed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 — — US claimed
CN-1364155-A N-Cyanomethyl amides as protease inhibitors AXYS PHARM INC (US) 2002-08-14 — — CN claimed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 — — EP claimed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO claimed
WO-1997037981-A1 PROCESS FOR THE PRODUCTION OF OXAZOLIDINE-2,4-DIONES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-16 — — WO claimed
EP-0628542-B1 Process for the preparation of organic carbamates BAYER AG (DE) 1997-04-09 — — EP claimed
EP-0628542-A1 Process for the preparation of organic carbonates BAYER AG (DE) 1994-12-14 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 TP53 365/4885CALM1 1440/4885TSHR 4863/4885

“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.