SCHEMBL25073166

SCHEMBL25073166

COc1nc2c(cc1C(=O)O)CN(S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C3 P42330 6/20 0.44
PKM P14618 4/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL30278512 1.00 MEN1 (0.47) MEN1KMT2AAKR1C3PKMKDM4E
SCHEMBL29221746 0.91 KMT2A (0.46) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL30278517 0.80 PKM (0.63) MEN1KMT2AAKR1C3PKMALDH1A1
SCHEMBL25072845 0.80 PKM (0.63) MEN1KMT2AAKR1C3PKMALDH1A1
SCHEMBL25072949 0.78 MAPT (0.36) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL25073106 0.76 MEN1 (0.59) MEN1KMT2AAKR1C3PKMPPARG
SCHEMBL25734257 0.73 PKM (0.61) MEN1KMT2AAKR1C3PKMALDH1A1
SCHEMBL30278456 0.73 PKM (0.61) MEN1KMT2AAKR1C3PKMALDH1A1
SCHEMBL4012085 0.70 AKR1C3 (0.73) MEN1KMT2AAKR1C3
SCHEMBL3528339 0.70 KMT2A (0.52) MEN1KMT2APKMKDM4EALDH1A1

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
CN-118103038-A 17 Beta-hydroxysteroid dehydrogenase 13 inhibitors and methods of use thereof 英安塔制药有限公司 2024-05-28 CN disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 MEN1 3138/4885KMT2A 3702/4885AKR1C3 47/4885

“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.