SCHEMBL8871035

SCHEMBL8871035

[N-]=[N+]=CC(=O)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
PARP1 P09874 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 1/20 0.49
GPR52 Q9Y2T5 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
PLA2G7 Q13093 1/20 0.44
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KCNK3 O14649 1/20 0.41
RELA Q04206 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL2285570 0.81 CES2 (0.48) CES2CES1PARP1ALDH1A1MEN1
SCHEMBL8715637 0.79 ALDH1A1 (0.53) PARP1ALDH1A1HDAC1MEN1KMT2A
SCHEMBL9448999 0.79 PARP1 (0.52) PARP1ALDH1A1HDAC6GPR52MEN1
SCHEMBL362249 0.79 PARP1 (0.52) PARP1ALDH1A1MEN1KMT2AHTT
SCHEMBL8869439 0.78 CES2 (0.59) CES2ALDH1A1MEN1KMT2AHTT
SCHEMBL1927123 0.77 KMO (0.55) ALDH1A1GPR52MEN1KMT2AHTT
SCHEMBL3056544 0.77 CES2 (0.63) CES2CES1PARP1ALDH1A1HDAC6
SCHEMBL9448908 0.77 ALDH1A1 (0.61) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL82420 0.77 ALDH1A1 (0.60) CES2CES1ALDH1A1HDAC1MEN1
SCHEMBL29693792 0.76 RAB9A (0.47) ALDH1A1MEN1KMT2AHTTHIF1A

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-11840504-B2 Method for preparing perfluoroalkyl sulfinate ester SOOCHOW UNIVERSITY (CN) 2023-12-12 US disclosed
US-5693648-A TREATMENT OF AUTOIMMUNE DISEASES, INFECTIOUS DISEASES, PREVENTING REJECTION OF ORGAN TRANSPLANTS MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5565560-A TREATING AUTOIMMUNE DISEASES, PREVENTING TRANSPLANT REJECTION MERCK & CO., INC. (US) 1996-10-15 US disclosed
US-5532248-A O-aryl,O-alkyl, and O-alkenyl-macrolides having immunosuppressive activity MERCK CO., INC. (US) 1996-07-02 US disclosed
WO-1995009857-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-04-13 WO disclosed
EP-0466730-B1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1993-07-21 EP disclosed
US-5220021-A Geminal bisphosphonic acids and derivatives as anti-arthritic agents THE UPJOHN COMPANY (US) 1993-06-15 US disclosed
WO-1990012017-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1990-10-18 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 (1 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-11840504-B2 Method for preparing perfluoroalkyl sulfinate ester TERT, TST, CTH CES2 845/4885CES1 786/4885PARP1 2825/4885

“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.