SCHEMBL22246017

SCHEMBL22246017

O=C1OCC(c2ccc(F)s2)=C1c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LTA4H P09960 1/20 0.33
PTGS2 P35354 2/20 0.33
DPP4 P27487 2/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 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
SCHEMBL22246046 0.85 KMT2A (0.44) PTGS1KMT2AALDH1A1POLBHPGD
SCHEMBL22246009 0.83 KMT2A (0.36) PTGS1KMT2AALDH1A1GAAPOLB
SCHEMBL22246091 0.78 PTGS1 (0.63) PTGS1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL22246052 0.75 PTGS1 (0.54) PTGS1KMT2APTGS2
SCHEMBL22246047 0.74 KMT2A (0.49) PTGS1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL22246016 0.72 ALDH1A1 (0.46) KMT2AALDH1A1GAAPOLBHPGD
SCHEMBL22246092 0.72 KMT2A (0.47) PTGS1KMT2AALDH1A1PTGS2
SCHEMBL155897 0.72 LTA4H (0.52) KMT2AALDH1A1GAAPOLBHPGD
SCHEMBL20518624 0.72 LTA4H (0.52) KMT2AALDH1A1GAAPOLBHPGD
SCHEMBL22246051 0.71 ALDH1A1 (0.47) PTGS1KMT2AALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744826-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2023-09-05 US disclosed
US-20220087992-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-24 US disclosed
US-11191752-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2021-12-07 US disclosed
US-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION CASE WESTERN RESERVE UNIVERSITY 2020-07-23 US 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 (4 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-20220087992-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C PTGS1 348/4885KMT2A 4688/4885ALDH1A1 212/4885
US-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION PDE6A, PDE6H, PDE6D PTGS1 394/4885KMT2A 4586/4885ALDH1A1 1072/4885
US-11744826-B2 Compounds and methods of treating retinal degeneration ALDH1A2, PDE6D, PDE6C PTGS1 348/4885KMT2A 4688/4885ALDH1A1 212/4885
US-11191752-B2 Compounds and methods of treating retinal degeneration PDE6A, PDE6H, PDE6D PTGS1 394/4885KMT2A 4586/4885ALDH1A1 1072/4885

“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.