SCHEMBL21074635

SCHEMBL21074635

CC(OC(=O)Nc1c(F)c(N2CCC(N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 4/20 0.41
CACNA1F O60840 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
GSK3B P49841 6/20 0.40
KDM4E B2RXH2 5/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
RPS6KB1 P23443 1/20 0.37
MATK P42679 1/20 0.37

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
SCHEMBL21074706 0.87 POLB (0.56) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9688692 0.84 POLB (0.65) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL21074639 0.83 POLB (0.49) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL21074763 0.81 POLB (0.51) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL21074643 0.81 MEN1 (0.65) POLBALDH1A1OPRM1MEN1KMT2A
SCHEMBL21074751 0.80 KDM4E (0.58) POLBALDH1A1OPRM1MEN1KMT2A
SCHEMBL8111701 0.79 POLB (0.68) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9689308 0.79 POLB (0.65) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL21783175 0.79 MEN1 (0.61) POLBALDH1A1OPRM1MEN1KMT2A
SCHEMBL9368503 0.79 POLB (0.69) POLBALDH1A1CHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US disclosed
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US disclosed
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-08 US disclosed
US-10865220-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2020-12-15 US disclosed
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC LLC (US) 2019-06-06 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 (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-10865220-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 POLB 2110/4885ALDH1A1 2346/4885CHRM2 4407/4885
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 POLB 2110/4885ALDH1A1 2346/4885CHRM2 4407/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 POLB 2110/4885ALDH1A1 2346/4885CHRM2 4407/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 POLB 2110/4885ALDH1A1 2346/4885CHRM2 4407/4885

“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.