SCHEMBL3657281

SCHEMBL3657281

Cc1noc(C(C)C)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
AGTR1 P30556 1/20 0.41
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL7826668 0.85 GAA (0.36) TRPA1GAAALDH1A1KDM4EMAPT
SCHEMBL19240419 0.82 POLB (0.46) TRPA1GAAALDH1A1KDM4EMAPT
SCHEMBL10802043 0.82 TRPA1 (0.41) TRPA1GAAALDH1A1KDM4EMAPT
SCHEMBL7080536 0.77 ALDH1A1 (0.49) TRPA1GAAALDH1A1KDM4EMAPT
SCHEMBL938250 0.75 CYP1A2 (0.49) GAAALDH1A1KDM4EHCAR2KMT2A
SCHEMBL223413 0.74 GAA (0.49) GAAALDH1A1KDM4EMAPTAGTR1
Hydrochloric Acid SCHEMBL19119186 0.72 GAA (0.47) GAAALDH1A1KDM4EMAPTAGTR1
SCHEMBL7030589 0.72 ALDH1A1 (0.33) TRPA1GAAALDH1A1KDM4EMAPT
SCHEMBL21806565 0.71 HCAR2 (0.36) GAAALDH1A1KDM4EMAPTHCAR2
SCHEMBL8305745 0.71 ALDH1A1 (0.39) GAAALDH1A1MAPTAGTR1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-4143195-B1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2025-05-21 EP disclosed
US-12024524-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2024-07-02 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-20230081548-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN RESEARCH & DEVELOPMENT, LLC 2022-12-22 US disclosed
WO-2002020509-A2 MEDICAMENTS AGAINST VIRAL INFECTIONS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
WO-2001064755-A2 ISOXAZOLE GEGEN VIRALE ERKRANKUNGEN BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 WO disclosed
US-6180796-B1 TUBULIN POLYMERIZATION INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-01-30 US disclosed
CN-1058490-C Tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2000-11-15 CN disclosed
CN-1259121-A Novel sulfonamide derivatives NIPPON KAYAKU KK (JP) 2000-07-05 CN disclosed
EP-0990645-A1 NOVEL SULFONAMIDE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-05 EP disclosed
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 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-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 TRPA1 2567/4885GAA 4186/4885ALDH1A1 164/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 TRPA1 2567/4885GAA 4186/4885ALDH1A1 164/4885
US-12024524-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 TRPA1 2567/4885GAA 4186/4885ALDH1A1 164/4885
US-20230081548-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 TRPA1 2567/4885GAA 4186/4885ALDH1A1 164/4885
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 TRPA1 2567/4885GAA 4186/4885ALDH1A1 164/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 TRPA1 2567/4885GAA 4186/4885ALDH1A1 164/4885

“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.