SCHEMBL22492379

SCHEMBL22492379

COc1ccc2c(c1)C(C(=O)O)CCN2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.48
HSPA1A P0DMV8 1/20 0.46
PTPN7 P35236 1/20 0.46
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
MTNR1A P48039 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL19644392 0.89 SIRT1 (0.43) F12HSPA1APTPN7ALDH1A1SMN1; SMN2
SCHEMBL22492406 0.87 F12 (0.47) F12HSPA1APTPN7ALDH1A1SMN1; SMN2
SCHEMBL10869546 0.86 F12 (0.46) F12HSPA1APTPN7ALDH1A1SMN1; SMN2
SCHEMBL3749345 0.85 HSPA1A (0.51) F12HSPA1APTPN7ALDH1A1SMN1; SMN2
SCHEMBL22492445 0.81 F12 (0.45) F12HSPA1APTPN7ALDH1A1SMN1; SMN2
SCHEMBL19643629 0.78 F12 (0.46) F12SIRT1PTGDR2MAPTMEN1
SCHEMBL19127839 0.78 F12 (0.50) F12
SCHEMBL11700182 0.77 HTR2C (0.49) F12HSPA1APTPN7MAOAMAOB
SCHEMBL22492372 0.77 F12 (0.48) F12ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL22492635 0.77 F12 (0.48) F12

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 F12 14/4885HSPA1A 4079/4885PTPN7 1100/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 F12 14/4885HSPA1A 4079/4885PTPN7 1100/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 F12 14/4885HSPA1A 4079/4885PTPN7 1100/4885

“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.