SCHEMBL21074647

SCHEMBL21074647

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)OC(P(=O)(O)O)P(=O)(O)O)CC3)cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.69
▸ DRD3 P35462 1/20 0.67
▸ KDM4E B2RXH2 8/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ HTT P42858 4/20 0.64
▸ HPGD P15428 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ TSHR P16473 2/20 0.64
▸ BRD4 O60885 1/20 0.64
▸ CYP2J2 P51589 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ MEN1 O00255 6/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ USP2 O75604 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ PIK3CD O00329 2/20 0.62
▸ PIK3R1 P27986 2/20 0.62
▸ PIK3CA P42336 2/20 0.62

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
SCHEMBL21783167 0.90 HSD17B10 (0.55) HSD17B10DRD3KDM4EALDH1A1HTT
SCHEMBL7878070 0.88 HSD17B10 (0.73) HSD17B10DRD3KDM4EALDH1A1HTT
SCHEMBL29548937 0.86 HSD17B10 (0.78) HSD17B10DRD3KDM4EALDH1A1HTT
SCHEMBL27397656 0.86 HSD17B10 (0.78) HSD17B10DRD3KDM4EALDH1A1HTT
SCHEMBL10669929 0.86 HSD17B10 (0.69) HSD17B10DRD3KDM4EALDH1A1HTT
SCHEMBL21074769 0.86 HSD17B10 (0.69) HSD17B10DRD3KDM4EALDH1A1HTT
SCHEMBL30306133 0.84 HSD17B10 (0.75) HSD17B10DRD3KDM4EALDH1A1HTT
SCHEMBL4768364 0.84 HSD17B10 (0.75) HSD17B10DRD3KDM4EALDH1A1HTT
SCHEMBL21074740 0.84 KDM4E (0.69) HSD17B10KDM4EALDH1A1HTTHPGD
SCHEMBL22698592 0.84 HSD17B10 (0.84) HSD17B10DRD3KDM4EALDH1A1HTT

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 HSD17B10 2282/4885DRD3 2738/4885KDM4E 3437/4885
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 HSD17B10 2282/4885DRD3 2738/4885KDM4E 3437/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 HSD17B10 2282/4885DRD3 2738/4885KDM4E 3437/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 HSD17B10 2282/4885DRD3 2738/4885KDM4E 3437/4885

“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.

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