SCHEMBL16595448

SCHEMBL16595448

CCOC(=O)C(=O)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
ALOX15 P16050 1/20 0.43
CHRNA7 P36544 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
DHPS P49366 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL16595603 0.89 PTPN1 (0.48) PTPN1ALOX15CHRNA7MAPTKDM4E
SCHEMBL16595447 0.86 ALOX15 (0.51) PTPN1ALOX15CHRNA7HDAC1HDAC3
SCHEMBL29559740 0.86 ALOX15 (0.51) PTPN1ALOX15CHRNA7HDAC1HDAC3
SCHEMBL10991093 0.83 MAPT (0.45) PTPN1ALOX15CHRNA7HDAC1HDAC3
SCHEMBL10984649 0.82 PTPN1 (0.46) PTPN1ALOX15CHRNA7HDAC1HDAC3
SCHEMBL7636919 0.81 BCL2L1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10984570 0.80 KMT2A (0.49) MAPTKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL12264653 0.80 STING1 (0.39) PTPN1HDAC1HDAC3HDAC4HDAC7
SCHEMBL16595474 0.77 PRSS12 (0.46) CHRNA7HDAC1HDAC3HDAC4HDAC7
SCHEMBL16595885 0.76 DHPS (0.44) CHRNA7HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARM INC (US) 2021-02-23 US disclosed
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-08-29 US disclosed
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 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-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 PTPN1 4119/4885ALOX15 490/4885CHRNA7 3335/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PTPN1 4119/4885ALOX15 490/4885CHRNA7 3335/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 PTPN1 4119/4885ALOX15 490/4885CHRNA7 3335/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PTPN1 4119/4885ALOX15 490/4885CHRNA7 3335/4885

“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.