SCHEMBL23977506

SCHEMBL23977506

C[C@@H](O)c1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
ALDH1A1 P00352 1/20 0.37
FFAR1 O14842 1/20 0.35
UGT2B7 P16662 1/20 0.34
PGR P06401 1/20 0.33
ACACB O00763 8/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
PTPN5 P54829 1/20 0.31

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
SCHEMBL28977400 1.00 NOS3 (0.40) NOS3NOS1ALDH1A1FFAR1UGT2B7
SCHEMBL17894166 0.85 FFAR1 (0.33) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL17894164 0.85 FFAR1 (0.33) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL8129656 0.83 ACACB (0.39) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL27034887 0.82 CACNA2D1 (0.41) NOS3NOS1ALDH1A1FFAR1UGT2B7
SCHEMBL17464776 0.82 ACACB (0.41) FFAR1ACACB
SCHEMBL17464783 0.82 ACACB (0.41) FFAR1ACACB
SCHEMBL21673923 0.80 ADRB2 (0.43) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30200615 0.80 ADRB2 (0.43) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1306384 0.80 GABRA1 (0.38) ALDH1A1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
EP-4143172-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES Syddansk Universitet (DK) 2023-03-08 EP disclosed
CN-115720579-A Antibacterial and antifungal pleuromutilin conjugates 赛丹思科大学 2023-02-28 CN disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 NOS3 4071/4885NOS1 3880/4885ALDH1A1 1010/4885

“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.