SCHEMBL23977435

SCHEMBL23977435

C#Cc1cc(C#N)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MMP3 P08254 1/20 0.39
CXCR2 P25025 5/20 0.38
CXCR1 P25024 2/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
AR P10275 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
CYP19A1 P11511 1/20 0.35
PNMT P11086 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PTPN11 Q06124 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
SCHEMBL2635720 0.85 CA12 (0.48) CA12CA2CA3CA6CA9
SCHEMBL20364829 0.78 IMPDH2 (0.39) CA12CA2CA3CA6CA9
SCHEMBL31352953 0.78 IMPDH2 (0.39) CA12CA2CA3CA6CA9
SCHEMBL565978 0.76 CA12 (0.40) CA12CA2CA3CA6CA9
SCHEMBL17672451 0.75 ALDH1A1 (0.40) CA12CA2CA3CA6CA9
SCHEMBL16620846 0.75 FFAR1 (0.44) CA12CA2CA3CA6CA9
SCHEMBL1794400 0.75 VCAM1 (0.46) CA2MAOAIMPDH2IMPDH1AR
SCHEMBL3227760 0.75 IMPDH2 (0.37) CA12CA2CA3CA6CA9
SCHEMBL2713742 0.75 MPO (0.38) CA12CA2CA3CA6CA9
SCHEMBL217250 0.75 CA12 (0.52) CA12CA2CA3CA6CA9

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 7 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
WO-2020071550-A1 CDK8 INHIBITOR AND USE OF SAME 京都薬品工業株式会社 2020-04-09 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 CA12 1853/4885CA2 4488/4885CA3 4693/4885

“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.