SCHEMBL21054993

SCHEMBL21054993

C[Si](C)(C)C#CCc1cccc(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.40
ENPP2 Q13822 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
S1PR1 P21453 4/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
TSHR P16473 1/20 0.35
FFAR1 O14842 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
MAP2K4 P45985 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL3351697 0.79 FFAR1 (0.48) PRKCIENPP2CYP11B1CYP11B2PRSS1
SCHEMBL3219045 0.77 DHFR (0.40) TSHRFFAR1
SCHEMBL26988425 0.76 NPC1 (0.33)
SCHEMBL21054946 0.75 MAOA (0.40) FFAR1
SCHEMBL15182010 0.73 CYP4F2 (0.39) PRKCIENPP2CYP11B1CYP11B2S1PR1
SCHEMBL31044528 0.73 LOXL2 (0.57) TSHR
SCHEMBL3932722 0.73 LOXL2 (0.57) TSHR
SCHEMBL123838 0.73 TSHR (0.61) PRKCIENPP2CYP11B1CYP11B2S1PR1
SCHEMBL1246811 0.72 PRKCI (0.33) PRKCIENPP2CYP11B1CYP11B2S1PR1
SCHEMBL20315441 0.72 NOS1 (0.33) PRKCIENPP2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339406-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-11-06 US disclosed
US-12364688-B2 NSD family inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-07-22 US disclosed
US-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-02-16 US disclosed
US-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-02-16 US disclosed
US-11324729-B2 NSD family inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-10 US disclosed
US-11324729-B2 NSD family inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-10 US disclosed
CN-112040947-A NSD family inhibitors and methods of treatment therewith 密歇根大学董事会 2020-12-04 CN disclosed
EP-3720439-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH The Regents Of The University Of Michigan (US) 2020-10-14 EP disclosed
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-20 US disclosed
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-20 US disclosed
WO-2019113469-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-13 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 (5 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-12364688-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 PRKCI 4052/4885ENPP2 2510/4885CYP11B1 3147/4885
US-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 PRKCI 4052/4885ENPP2 2510/4885CYP11B1 3147/4885
US-20250339406-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 PRKCI 4052/4885ENPP2 2510/4885CYP11B1 3147/4885
US-11324729-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 PRKCI 4052/4885ENPP2 2510/4885CYP11B1 3147/4885
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 PRKCI 4052/4885ENPP2 2510/4885CYP11B1 3147/4885

“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.