Sugi Predict

Sugi Predict / Compounds / SCHEMBL2176443

SCHEMBL2176443

SCHEMBL2176443

COc1ccc(CNC(=O)CBr)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.65
▸ GAA P10253 2/20 0.60
▸ ALDH1A1 P00352 4/20 0.59
▸ PKM P14618 1/20 0.59
▸ HPGD P15428 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ERCC1 P07992 1/20 0.56
▸ ERCC4 Q92889 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ GRK2 P25098 1/20 0.56

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
SCHEMBL1484465 0.87 ALDH1A1 (0.63) NPC1GAAALDH1A1PKMPOLB
SCHEMBL933858 0.84 NPC1 (0.67) NPC1GAAALDH1A1PKMRAB9A
SCHEMBL3654748 0.83 SMN1; SMN2 (0.69) ALDH1A1HPGDCA12CA1CA2
SCHEMBL8288439 0.83 NPC1 (0.65) NPC1GAAALDH1A1PKMHPGD
SCHEMBL16215809 0.83 NPC1 (0.65) NPC1GAAALDH1A1PKMHPGD
SCHEMBL27672313 0.83 NPC1 (0.65) NPC1GAAALDH1A1PKMHPGD
SCHEMBL5250976 0.83 NPC1 (0.69) NPC1GAAALDH1A1PKMRAB9A
SCHEMBL2797868 0.83 NPC1 (0.65) NPC1GAAALDH1A1PKMHPGD
SCHEMBL7529534 0.83 NPC1 (0.65) NPC1GAAALDH1A1PKMHPGD
SCHEMBL5902331 0.83 NPC1 (0.65) NPC1GAAALDH1A1PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260131009-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS INC (US) 2026-05-14 — — US disclosed
US-20250333395-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Agomab Spain, S.L.U. (ES) 2025-10-30 — — US disclosed
US-12433949-B2 Sustained release delivery systems comprising traceless linkers NOVARTIS AG (CH) 2025-10-07 — — US disclosed
US-12297186-B2 Benzylamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 Agomab Spain, S.L.U. (ES) 2025-05-13 — — US disclosed
US-20250019380-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-01-16 — — US disclosed
CN-119185569-A Sustained release delivery system comprising a traceless linker 诺华股份有限公司 2024-12-27 — — CN disclosed
EP-4426286-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF Relay Therapeutics, Inc. (US) 2024-09-11 — — EP disclosed
EP-4370124-A1 PI3Ka INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-05-22 — — EP disclosed
CN-117881683-A PI3K alpha inhibitors and methods of use thereof 传达治疗有限公司 2024-04-12 — — CN disclosed
CN-114787145-B Benzamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 阿戈麦布西班牙股份有限公司 2024-03-26 — — CN disclosed
WO-2013030205-A1 PARP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
CN-101500554-B Sulfonamide compound or salt thereof ASTELLAS PHARMA INC 2012-06-27 — — CN disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 — — US disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 — — US disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 — — US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 — — US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 — — US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 — — US disclosed
EP-2050446-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-22 — — EP disclosed
EP-2050446-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-22 — — 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 (6 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-12297186-B2 Benzylamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 TGFBR2, TGFBR1, ACVR1 NPC1 2361/4885GAA 650/4885ALDH1A1 1012/4885
US-20250019380-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD NPC1 1105/4885GAA 141/4885ALDH1A1 3698/4885
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF PTGER1, CYSLTR1, PTGER2 NPC1 2796/4885GAA 3799/4885ALDH1A1 511/4885
US-20260131009-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF PIK3R5, PIK3R4, PIK3R1 NPC1 1273/4885GAA 2271/4885ALDH1A1 4550/4885
US-12433949-B2 Sustained release delivery systems comprising traceless linkers ABCB11, ABCB1, GHRHR NPC1 664/4885GAA 1634/4885ALDH1A1 511/4885
US-20250333395-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 TGFBR2, TGFBR1, ACVR1 NPC1 2361/4885GAA 650/4885ALDH1A1 1012/4885

“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.