SCHEMBL21552890

SCHEMBL21552890

CS(=O)(=O)c1ccc(-n2cc(/C=C/C(=O)O)nc(N3CC4(COC4)C3)c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.37
AKR1C3 P42330 1/20 0.34
SYK P43405 2/20 0.33
PFKFB3 Q16875 1/20 0.33
TTK P33981 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MGLL Q99685 1/20 0.31
PTGS1 P23219 1/20 0.31
MAOB P27338 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL21564606 0.88 PTGS2 (0.40) PTGS2PFKFB3ALDH1A1
SCHEMBL21553154 0.86 GRIA1 (0.36) SYKPFKFB3KDM4EMEN1ALDH1A1
SCHEMBL21552833 0.82 SYK (0.35) SYKPFKFB3MGLLHDAC4
SCHEMBL21552868 0.76 PTGS2 (0.41) PTGS2AKR1C3SYKPFKFB3TTK
SCHEMBL21552951 0.76 PTGS2 (0.37) PTGS2SYKTTKPTGS1
SCHEMBL21564785 0.75 GABRA2 (0.38) PFKFB3MEN1KMT2A
SCHEMBL21553066 0.75 PTGS2 (0.41) PTGS2SYKPFKFB3ALDH1A1
SCHEMBL30719407 0.74 TTK (0.40) PTGS2AKR1C3SYKTTK
SCHEMBL21564472 0.74 PTGS2 (0.37) PTGS2AKR1C3SYKTTKPTGS1
SCHEMBL21564784 0.73 MTOR (0.43) PTGS2AKR1C3KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790867-B1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2024-03-27 EP disclosed
US-11932629-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2024-03-19 US disclosed
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2023-08-10 US disclosed
US-11578059-B2 KDM1A inhibitors for the treatment of disease Imago Biosciences. Inc. (US) 2023-02-14 US disclosed
US-20210115023-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2021-04-22 US disclosed
EP-3790867-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE Imago Biosciences Inc. (US) 2021-03-17 EP disclosed
WO-2019217972-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2019-11-14 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 (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-11932629-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A PTGS2 2832/4885AKR1C3 3166/4885SYK 2651/4885
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A PTGS2 2832/4885AKR1C3 3166/4885SYK 2651/4885
US-20210115023-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1A, KDM1B, KDM2A PTGS2 2929/4885AKR1C3 2781/4885SYK 2621/4885
US-11578059-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A PTGS2 2832/4885AKR1C3 3166/4885SYK 2651/4885

“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.