Sugi Predict

Sugi Predict / Compounds / SCHEMBL6936653

SCHEMBL6936653

SCHEMBL6936653

CC1(C)CC(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.49
▸ PTPRC P08575 3/20 0.49
▸ S100A4 P26447 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CASP3 P42574 2/20 0.45
▸ CAPN9 O14815 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ CASP1 P29466 1/20 0.43
▸ CASP4 P49662 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP9 P55211 1/20 0.43
▸ CASP6 P55212 1/20 0.43

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
SCHEMBL30279034 1.00 TDP2 (0.49) TDP2PTPRCS100A4TDP1CYP3A4
SCHEMBL2061965 0.84 TDP1 (0.46) TDP2PTPRCS100A4TDP1CYP3A4
SCHEMBL11543225 0.80 CYP3A4 (0.45) TDP2PTPRCS100A4TDP1CYP3A4
SCHEMBL9139518 0.77 CA1 (0.50) TDP2PTPRCS100A4TDP1CYP3A4
SCHEMBL445340 0.76 CYP3A4 (0.53) TDP2PTPRCS100A4TDP1CYP3A4
SCHEMBL568994 0.75 PGR (0.55) CA1CA2CA7CA9ALDH1A1
SCHEMBL13189991 0.74 PGR (0.44) TDP1ALDH1A1PGRMAPTKDM4E
SCHEMBL17922578 0.74 TDP2 (0.46) TDP2TDP1CASP3ALDH1A1CES1
SCHEMBL484599 0.74 PDE4B (0.46) TDP2PTPRCS100A4TDP1CA1
SCHEMBL6562466 0.74 PGR (0.44) TDP2PTPRCS100A4TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12611404-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CHEMOCENTRYX, INC. (US) 2026-04-28 — — US disclosed
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 — — US disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 — — EP disclosed
US-20220047575-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CHEMOCENTRYX, INC. 2022-02-17 — — US disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 — — US disclosed
EP-3738958-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR(9) ANTAGONISTS ChemoCentryx, Inc. (US) 2020-11-18 — — EP disclosed
US-20200197386-A1 Aza-Aryl 1H-Pyrazol-yl Benzene Sulfonamides CHEMOCENTRYX INC (US) 2020-06-25 — — US disclosed
EP-3263564-B1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR(9) ANTAGONISTS CHEMOCENTRYX INC (US) 2020-06-10 — — EP disclosed
US-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CHEMOCENTRYX, INC. (US) 2020-03-24 — — US disclosed
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 — — EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 — — US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 — — US disclosed
US-5514690-A Aminocarbonyl (thiocarbonyl) and cyanoguanidine derivatives of quinoline and indoline E. R. SQUIBB & SONS, INC. (US) 1996-05-07 — — US disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 — — EP disclosed
US-5401848-A Indane and quinoline derivatives E. R. SQUIBB & SONS, INC. (US) 1995-03-28 — — US disclosed
EP-0610553-A1 Aminocarbonyl (thiocarbonyl) and cyanoguanidine derivatives of quinoline and indoline E.R. SQUIBB & SONS, INC. (US) 1994-08-17 — — EP disclosed
WO-1994014801-A1 HETEROCYCLIC UREA DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 — — WO disclosed
EP-0488616-A1 Indane and quinoline derivatives E.R. SQUIBB & SONS, INC. (US) 1992-06-03 — — EP disclosed
EP-0321175-A1 Indane derivatives BEECHAM GROUP PLC (GB) 1989-06-21 — — 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-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CCR9, CCR1, CCR3 TDP2 4425/4885PTPRC 323/4885S100A4 2110/4885
US-12611404-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CCR1, CCR9, CCR8 TDP2 4659/4885PTPRC 719/4885S100A4 3736/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 TDP2 4660/4885PTPRC 941/4885S100A4 1222/4885
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 TDP2 3951/4885PTPRC 2214/4885S100A4 1825/4885
US-20200197386-A1 Aza-Aryl 1H-Pyrazol-yl Benzene Sulfonamides CCR9, CCR1, CCR3 TDP2 4409/4885PTPRC 289/4885S100A4 1898/4885
US-20220047575-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CCR9, CCR1, CCR3 TDP2 4425/4885PTPRC 323/4885S100A4 2110/4885

“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.