SCHEMBL22492440

SCHEMBL22492440

CCOC(=O)c1c[nH]c2c(CC)cccc2c1=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 1/20 0.80
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 4/20 0.60
TSHR P16473 1/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPT P10636 3/20 0.58
GABRA1 P14867 2/20 0.57
GABRB2 P47870 2/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP7 Q9BQF6 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
SCHEMBL28287784 0.88 CLEC4M (0.82) CLEC4MKDM4EALDH1A1TSHRMEN1
SCHEMBL1244789 0.86 CLEC4M (0.80) CLEC4MKDM4EALDH1A1TSHRMEN1
SCHEMBL16341803 0.85 CLEC4M (0.78) CLEC4MKDM4EMEN1KMT2ACYP1A2
SCHEMBL21101401 0.85 CLEC4M (0.78) CLEC4MKDM4EALDH1A1TSHRMEN1
SCHEMBL1126279 0.85 CLEC4M (0.78) CLEC4MKDM4EMEN1KMT2ACYP1A2
SCHEMBL11195663 0.85 CLEC4M (0.78) CLEC4MKDM4EALDH1A1TSHRMEN1
SCHEMBL11195138 0.84 CLEC4M (0.76) CLEC4MKDM4EALDH1A1MEN1KMT2A
SCHEMBL774558 0.84 CLEC4M (0.76) CLEC4MKDM4EALDH1A1MEN1KMT2A
SCHEMBL2977296 0.83 TSHR (0.64) CLEC4MKDM4EALDH1A1TSHRMEN1
SCHEMBL28289147 0.83 CLEC4M (0.74) CLEC4MKDM4EALDH1A1MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2022-07-07 US disclosed
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2022-07-07 US disclosed
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 US disclosed
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 US disclosed
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2020-11-26 US disclosed
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2020-11-26 US disclosed
EP-3716972-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2020-10-07 EP disclosed
CN-111670034-A Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases 洛克菲勒大学 2020-09-15 CN 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 (3 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-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 CLEC4M 1883/4885KDM4E 3175/4885ALDH1A1 1832/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 CLEC4M 1883/4885KDM4E 3175/4885ALDH1A1 1832/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 CLEC4M 1883/4885KDM4E 3175/4885ALDH1A1 1832/4885

“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.