SCHEMBL23567195

SCHEMBL23567195

COc1ccc(CC(=S)C2(NC=O)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ EPHX2 P34913 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CTSK P43235 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL5963579 0.74 EPHX2 (0.56) MAPTEPHX2HTTTDP1CTSK
SCHEMBL3172394 0.70 EPHX2 (0.54) MAPTEPHX2HTTTDP1KMT2A
SCHEMBL17182799 0.67 DPP7 (0.52) MAPTKMT2ASMN1; SMN2ALDH1A1PKM
SCHEMBL3175750 0.66 EPHX2 (0.56) MAPTEPHX2HTTTDP1KMT2A
SCHEMBL8980476 0.65 HTT (0.63) MAPTHTTTDP1KMT2ASMN1; SMN2
SCHEMBL6627421 0.65 TSHR (0.42) MAPTEPHX2TDP1CTSKSMN1; SMN2
SCHEMBL812289 0.65 MAPT (0.45) MAPTEPHX2CTSKKMT2ASMN1; SMN2
SCHEMBL7827049 0.65 MAPT (0.45) MAPTEPHX2HTTKMT2ASMN1; SMN2
SCHEMBL5964054 0.65 EPHX2 (0.54) MAPTEPHX2HTTTDP1KMT2A
SCHEMBL8586015 0.64 ALDH1A1 (0.52) MAPTEPHX2HTTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842430-B1 SET8 LYSINE METHYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF HAINAN YILING MEDICAL IND & DEVELOPMENT CO LTD (CN) 2022-09-28 — — EP disclosed
US-20210363138-A1 SET8 LYSINE METHYLTRANSFERASE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF HAINAN YILING MEDICAL INDUSTRY & DEVELOPMENT Co., Ltd. (CN) 2021-11-25 — — US disclosed
EP-3842430-A1 SET8 LYSINE METHYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Hainan Yiling Medical Industry & Development Co. Ltd (CN) 2021-06-30 — — EP 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-20210363138-A1 SET8 LYSINE METHYLTRANSFERASE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF SETDB1, SETD7, SETD1A MAPT 2171/4885EPHX2 2972/4885HTT 4654/4885

“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.

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