SCHEMBL21261964

SCHEMBL21261964

Cc1c(C(=O)O)ccc2cc(Cl)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.46
PFKFB3 Q16875 1/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CASP1 P29466 1/20 0.38
MYC P01106 4/20 0.37
NR4A1 P22736 2/20 0.37
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL18070609 0.83 ABL1 (0.43) PFKFB3SMN1; SMN2CASP1MYCKDM4E
SCHEMBL18070604 0.71 CHRNA7 (0.34) KDM4EALDH1A1
SCHEMBL15515690 0.70 MEN1 (0.43) DAOTSHRNR4A1KDM4ETDP1
SCHEMBL17843039 0.70 CHRNA7 (0.49) DAOKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL23462371 0.70 ABL1 (0.43) TSHRSMN1; SMN2CASP1MYCKDM4E
SCHEMBL8174209 0.69 DAO (0.63) DAOTSHRSMN1; SMN2CASP1MYC
SCHEMBL31389208 0.69 CYP1A2 (0.58) TSHRSMN1; SMN2CASP1MYCKDM4E
SCHEMBL128319 0.69 CYP1A2 (0.58) TSHRSMN1; SMN2CASP1MYCKDM4E
SCHEMBL369929 0.67 DAO (0.39) DAOTSHRKDM4EL3MBTL1TDP1
Ammonia Solution, Strong SCHEMBL29137499 0.66 CYP1A2 (0.55) TSHRSMN1; SMN2CASP1MYCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759769-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMECEUTICAL INC (US) 2020-09-01 US disclosed
US-20190248754-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMECEUTICAL INC (US) 2019-08-15 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 (2 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-10759769-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 DAO 2284/4885PFKFB3 1557/4885TSHR 3371/4885
US-20190248754-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 DAO 2284/4885PFKFB3 1557/4885TSHR 3371/4885

“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.