SCHEMBL5143206

SCHEMBL5143206

O=C(O)CCSc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CYP2C19 P33261 1/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FGB P02675 1/20 0.46
MAP2K7 O14733 2/20 0.45
CDC25A P30304 2/20 0.45
CDC25B P30305 2/20 0.45
PRNP P04156 2/20 0.45
MAPK10 P53779 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
S100A4 P26447 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 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
SCHEMBL29514990 1.00 ALDH1A1 (0.49) ALDH1A1CYP2C19POLBMEN1KMT2A
SCHEMBL4272055 0.89 ALDH1A1 (0.61) ALDH1A1POLBMEN1KMT2ARXFP1
SCHEMBL4276237 0.86 PTGS2 (0.59) ALDH1A1POLBNPSR1RXFP1CYSLTR2
SCHEMBL4273989 0.81 CYP1A2 (0.61) ALDH1A1POLBMEN1KMT2ACDC25B
SCHEMBL9701297 0.79 MEN1 (0.54) ALDH1A1CYP2C19POLBMEN1KMT2A
SCHEMBL14053505 0.79 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2AFGB
SCHEMBL13125 0.78 ALDH1A1 (0.49) ALDH1A1CYP2C19POLBMEN1KMT2A
SCHEMBL14557238 0.78 MAP2K7 (0.49) ALDH1A1CYP2C19POLBMEN1KMT2A
SCHEMBL21189320 0.78 CYP1A2 (0.68) ALDH1A1CYP2C19POLBSMN1; SMN2TSHR
SCHEMBL5637483 0.78 SMN1; SMN2 (0.56) ALDH1A1CYP2C19POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-07-27 US disclosed
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-07-27 US disclosed
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-07-27 US disclosed
EP-4190789-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-06-07 EP disclosed
CN-115836077-A Oxaazaspiro derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-03-21 CN disclosed
US-7291612-B2 Immunomodulatory compounds ACTIVE BIOTECH A.B. (SE) 2007-11-06 US disclosed
US-7291612-B2 Immunomodulatory compounds ACTIVE BIOTECH A.B. (SE) 2007-11-06 US disclosed
US-7291612-B2 Immunomodulatory compounds ACTIVE BIOTECH A.B. (SE) 2007-11-06 US disclosed
EP-1813616-A2 Pyrazoloquinolines with immunomodulating activity Active Biotech AB (SE) 2007-08-01 EP disclosed
EP-1813616-A2 Pyrazoloquinolines with immunomodulating activity Active Biotech AB (SE) 2007-08-01 EP disclosed
EP-1562944-B1 PYRAZOLOQUINOLINES WITH IMMUNOMODULATING ACTIVITY ACTIVE BIOTECH AB (SE) 2007-02-14 EP disclosed
EP-1562944-B1 PYRAZOLOQUINOLINES WITH IMMUNOMODULATING ACTIVITY ACTIVE BIOTECH AB (SE) 2007-02-14 EP disclosed
US-20060217411-A1 Immunomodulatory compounds ACTIVE BIOTECH AB 2006-09-28 US disclosed
US-7081456-B2 Immunomodulatory compounds ACTIVE BIOTECH AB (SE) 2006-07-25 US disclosed
US-20050203118-A9 Immunomodulatory compounds ACTIVE BIOTECH AB (SE) 2005-09-15 US disclosed
EP-1562944-A1 PYRAZOLOQUINOLINES WITH IMMUNOMODULATING ACTIVITY Active Biotech AB (SE) 2005-08-17 EP disclosed
US-20040116461-A1 Immunomodulatory compounds ACTIVE BIOTECH AB (SE) 2004-06-17 US disclosed
WO-2004048378-A1 PYRAZOLOQUINOLINES WITH IMMUNOMODULATING ACTIVITY ACTIVE BIOTECH AB (SE) 2004-06-10 WO 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-20050203118-A9 Immunomodulatory compounds CD40, ICOS, CD40LG ALDH1A1 3341/4885CYP2C19 3468/4885POLB 4509/4885
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF PIK3CD, PIK3CA, PIK3R5 ALDH1A1 704/4885CYP2C19 129/4885POLB 694/4885
US-20060217411-A1 Immunomodulatory compounds CD40, ICOS, CD40LG ALDH1A1 3341/4885CYP2C19 3468/4885POLB 4509/4885

“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.