Sugi Predict

Sugi Predict / Compounds / SCHEMBL17201513

SCHEMBL17201513

SCHEMBL17201513

CC(C)(C)OC(=O)c1nccs1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ RBBP9 O75884 5/20 0.43
▸ CYP1A2 P05177 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ SENP8 Q96LD8 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ SENP6 Q9GZR1 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ CYP2C9 P11712 1/20 0.37
▸ PLA2G7 Q13093 1/20 0.36
▸ HSPA9 P38646 1/20 0.36
▸ PLA2G4A P47712 1/20 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
Hydrochlorthiazide SCHEMBL17201627 0.88 ALDH1A1 (0.44) ALDH1A1RBBP9CYP1A2CYP2C19CYP2D6
SCHEMBL27531002 0.81 ALDH1A1 (0.50) ALDH1A1RBBP9CYP1A2CYP2C19CYP2D6
SCHEMBL1009292 0.79 — —
SCHEMBL28662188 0.78 METAP1 (0.50) ALDH1A1RBBP9CASP3SENP8SENP7
SCHEMBL23727257 0.77 ALDH1A1 (0.46) ALDH1A1RBBP9CYP1A2CYP2C19CYP2D6
SCHEMBL109510 0.77 METAP1 (0.46) ALDH1A1RBBP9CASP3SENP8SENP7
Hydrochloric Acid SCHEMBL28652061 0.77 ALDH1A1 (0.59) ALDH1A1RBBP9CYP1A2CYP2C19CYP2D6
SCHEMBL1091608 0.75 TDP2 (0.46) ALDH1A1MAPTKMT2AMETAP1
SCHEMBL28662185 0.75 ALDH1A1 (0.47) ALDH1A1RBBP9CYP1A2CYP2C19CYP2D6
SCHEMBL12862721 0.75 L3MBTL1 (0.45) ALDH1A1MAPTL3MBTL1METAP1HSPA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 — — US disclosed
US-20250270200-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2025-08-28 — — US disclosed
EP-4511035-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2025-02-26 — — EP disclosed
CN-117016550-A Sterilization composition and application thereof 沈阳中化农药化工研发有限公司 2023-11-10 — — CN disclosed
CN-117016551-A Sterilization composition and application thereof 沈阳中化农药化工研发有限公司 2023-11-10 — — CN disclosed
WO-2023205475-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2023-10-26 — — WO disclosed
WO-2023205475-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2023-10-26 — — WO disclosed
CN-116711727-A Sterilization composition and application thereof 沈阳中化农药化工研发有限公司 2023-09-08 — — CN disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 — — US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 — — US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 — — EP disclosed
EP-3134414-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2017-03-01 — — EP disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 — — WO disclosed
WO-2015161924-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2015-10-29 — — WO disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 — — WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 — — US disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 — — US disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 — — US 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 ALDH1A1 3157/4885RBBP9 1499/4885CYP1A2 2984/4885
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT ALDH1A1 886/4885RBBP9 3599/4885CYP1A2 1458/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 ALDH1A1 3157/4885RBBP9 1499/4885CYP1A2 2984/4885
US-20250270200-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 ALDH1A1 1472/4885RBBP9 2045/4885CYP1A2 849/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 ALDH1A1 3157/4885RBBP9 1499/4885CYP1A2 2984/4885

“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.