Sugi Predict

Sugi Predict / Compounds / SCHEMBL647501

SCHEMBL647501

SCHEMBL647501

CC(CO)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.48
▸ TSHR P16473 4/20 0.44
▸ SLC1A3 P43003 2/20 0.44
▸ SLC1A2 P43004 2/20 0.44
▸ SLC1A1 P43005 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RCE1 Q9Y256 1/20 0.43
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ AGXT P21549 1/20 0.40

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
SCHEMBL647500 1.00 TRPA1 (0.48) TRPA1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL3813606 1.00 TRPA1 (0.48) TRPA1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL2781956 0.93 MAPT (0.43) TRPA1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL23423410 0.93 MAPT (0.43) TRPA1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL872642 0.93 MAPT (0.43) TRPA1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL27133457 0.89 TRPA1 (0.41) TRPA1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL27032735 0.89 TRPA1 (0.41) TRPA1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL2304714 0.85 TSHR (0.48) TRPA1TSHRKMT2AMAPTALDH1A1
SCHEMBL17525899 0.85 TSHR (0.48) TRPA1TSHRKMT2AMAPTALDH1A1
SCHEMBL27902244 0.85 TRPA1 (0.50) TRPA1TSHRSLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108420842-A A kind of sowthistle-leaf ixeris seedling preparation of antigout effect 通化师范学院 2018-08-21 — — CN claimed
US-4746322-A Hair dye composition and process for using the same REPLIGEN CORPORATION (US) 1988-05-24 — — US claimed
EP-0161073-A2 Dyeing composition and its use in dyeing hair REPLIGEN CORPORATION (US) 1985-11-13 — — EP claimed
JP-7324092-A — — None — — JP disclosed
US-20260144795-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. LUNDBECK A/S (DK) 2026-05-28 — — US disclosed
US-20260137706-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS INC (US) 2026-05-21 — — US disclosed
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 — — US disclosed
EP-4724440-A1 METHODS OF TREATING INFLAMMATORY DISEASES Interline Therapeutics, Inc. (US) 2026-04-15 — — EP disclosed
US-20260098039-A1 SOLID FORMS OF COMPOUND I OR SALTS THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2026-04-09 — — US disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 — — US disclosed
EP-0161073-A2 Dyeing composition and its use in dyeing hair REPLIGEN CORPORATION (US) 1985-11-13 — — EP disclosed
US-4526786-A N-Substituted phenyl-5-aminomethyl oxazolidinones and their method of use DELALANDE S.A. (FR) 1985-07-02 — — US disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 — — US disclosed
US-4435415-A ANTIDEPRESSANTS DELALANDE S.A. (FR) 1984-03-06 — — US disclosed
US-4413001-A ANTIDEPRESSANTS DELALANDE S.A. (FR) 1983-11-01 — — US disclosed
US-4348393-A ANTIDEPRESSANTS DELALANDE S.A. (FR) 1982-09-07 — — US disclosed
US-4287351-A USEFUL AS ANTIDEPRESSANTS DELALANDE S.A. (FR) 1981-09-01 — — US disclosed
US-3933422-A METALLIZED DYE, ANIONIC SURFACTANT AVON PRODUCTS, INC. (US) 1976-01-20 — — 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 (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-20260144795-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR1 TRPA1 516/4885TSHR 119/4885SLC1A3 1051/4885
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 TRPA1 274/4885TSHR 3205/4885SLC1A3 341/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 TRPA1 274/4885TSHR 3205/4885SLC1A3 341/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 TRPA1 274/4885TSHR 3071/4885SLC1A3 340/4885
US-20260137706-A1 METHODS OF TREATING INFLAMMATORY DISEASES NR3C1, CCR1, CXCR2 TRPA1 2630/4885TSHR 1291/4885SLC1A3 3048/4885
US-20260098039-A1 SOLID FORMS OF COMPOUND I OR SALTS THEREOF LDHA, SLC25A11, LDHB TRPA1 1405/4885TSHR 2751/4885SLC1A3 764/4885

“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.