Sugi Predict

Sugi Predict / Compounds / SCHEMBL8178335

SCHEMBL8178335

SCHEMBL8178335

O=C(O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.60
▸ HTT P42858 2/20 0.59
▸ LMNA P02545 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PRSS1 P07477 2/20 0.56
▸ TPSAB1 Q15661 2/20 0.56
▸ TPSD1 Q9BZJ3 1/20 0.56
▸ TPSG1 Q9NRR2 1/20 0.56
▸ MAPK1 P28482 1/20 0.54
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ KDM1A O60341 1/20 0.52
▸ RCOR1 Q9UKL0 1/20 0.52
▸ PLAU P00749 1/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ FUCA1 P04066 1/20 0.51

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
SCHEMBL30440860 1.00 ALDH1A1 (0.60) ALDH1A1HTTLMNASMN1; SMN2PRSS1
SCHEMBL5873775 1.00 ALDH1A1 (0.60) ALDH1A1HTTLMNASMN1; SMN2PRSS1
SCHEMBL126974 0.93 HTT (0.66) ALDH1A1HTTLMNASMN1; SMN2CTSL
SCHEMBL11783251 0.93 HTT (0.66) ALDH1A1HTTLMNASMN1; SMN2CTSL
Hydrochloric Acid SCHEMBL8688569 0.92 HTT (0.64) ALDH1A1HTTLMNASMN1; SMN2CTSL
SCHEMBL8327761 0.89 ALDH1A1 (0.59) ALDH1A1HTTLMNASMN1; SMN2PRSS1
SCHEMBL30576720 0.89 PRSS1 (0.71) ALDH1A1HTTLMNASMN1; SMN2PRSS1
SCHEMBL31550495 0.89 ALDH1A1 (0.62) ALDH1A1HTTLMNASMN1; SMN2PRSS1
SCHEMBL13192100 0.88 HTT (0.65) ALDH1A1HTTLMNASMN1; SMN2PRSS1
SCHEMBL8156969 0.88 ALDH1A1 (0.58) ALDH1A1HTTLMNASMN1; SMN2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514903-A Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-08-01 — — CN disclosed
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 — — US disclosed
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 — — US disclosed
US-20230120220-A1 PROCESS FOR SITE-SPECIFIC MODIFICATION OF AN ANTIBODY Orano Mining (FR) 2023-04-20 — — US disclosed
CN-106604927-B Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2022-08-09 — — CN disclosed
US-11046762-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2021-06-29 — — US disclosed
US-20200148764-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2020-05-14 — — US disclosed
CN-104031117-B New application of the american cancer data base system compound on the type proteinase activity of anti AIDS virus 1 南开大学 2017-07-11 — — CN disclosed
US-20170157264-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2017-06-08 — — US disclosed
US-9498541-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2016-11-22 — — US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 — — US disclosed
US-6034055-A Glycosyl-amides of 2-aminoacylamino-2-deoxy-sugars BAYER AKTIENGESELLSCHAFT (DE) 2000-03-07 — — US disclosed
US-5905071-A IMMUNE SYSTEM STIMULATORS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-18 — — US disclosed
EP-0716658-B1 GLYCOSYL AMIDES OF 2-AMINOACYLAMINO-2-DEOXY SUGARS BAYER AG (DE) 1997-06-04 — — EP disclosed
EP-0716658-A1 GLYCOSYL AMIDES OF 2-AMINOACYLAMINO-2-DEOXY SUGARS BAYER AG (DE) 1996-06-19 — — EP disclosed
WO-1995006654-A1 GLYCOSYL AMIDES OF 2-AMINOACYLAMINO-2-DEOXY SUGARS BAYER AKTIENGESELLSCHAFT (DE) 1995-03-09 — — WO disclosed
US-5248770-A Labels such as fluorescent or radioactive compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-09-28 — — US disclosed
EP-0159708-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-12-13 — — EP disclosed
US-4760136-A Chartreusin derivatives and salts thereof ISHIHARA SANGYO KAISHA, LTD. (JP) 1988-07-26 — — US disclosed
EP-0159708-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for produing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-10-30 — — 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 (5 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-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885HTT 3818/4885LMNA 2486/4885
US-20230120220-A1 PROCESS FOR SITE-SPECIFIC MODIFICATION OF AN ANTIBODY OGA, GANAB, TGM1 ALDH1A1 3510/4885HTT 3222/4885LMNA 2451/4885
US-20200148764-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA ALDH1A1 3130/4885HTT 3022/4885LMNA 394/4885
US-20170157264-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA ALDH1A1 3130/4885HTT 3022/4885LMNA 394/4885
US-11046762-B2 Cross-linkers and their uses MTCL3, DCLRE1A, PCNA ALDH1A1 3130/4885HTT 3022/4885LMNA 394/4885

“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.