SCHEMBL6897273

SCHEMBL6897273

O=P(O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA5A P35218 1/20 0.50
CFTR P13569 1/20 0.45
TSHR P16473 3/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR1 P03372 2/20 0.39
PTPN1 P18031 1/20 0.39
ESR2 Q92731 1/20 0.39
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 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
SCHEMBL3122434 0.82 ESR1 (0.46) CA2CA4CA5ATSHRALOX15
SCHEMBL191567 0.78 CA2 (0.68) CA2CA4CA5ACFTRTSHR
SCHEMBL9001510 0.77 NPSR1 (0.43) CA2CA4CA5ACFTRTSHR
SCHEMBL6364549 0.76 ESR1 (0.42) CA2CA4CA5AESR1ESR2
SCHEMBL190541 0.76 CA2 (0.65) CA2CA4CA5ACFTRTSHR
SCHEMBL672826 0.76 CA2 (0.65) CA2CA4CA5ACFTRTSHR
Hydrochloric Acid SCHEMBL2361106 0.76 CA2 (0.65) CA2CA4CA5ACFTRTSHR
SCHEMBL19809604 0.76 CA2 (0.65) CA2CA4CA5ACFTRTSHR
SCHEMBL191417 0.76 CA2 (0.65) CA2CA4CA5ACFTRTSHR
SCHEMBL19809603 0.76 CA2 (0.65) CA2CA4CA5ACFTRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830136-B1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2004-10-20 EP disclosed
US-20020128185-A1 Pharmaceutical compounds HAWAII, UNIVERSITY OF 2002-09-12 US disclosed
US-6180679-B1 PARASITICIDE ELI LILLY AND COMPANY 2001-01-30 US disclosed
EP-0830136-A4 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2001-01-24 EP disclosed
US-6013626-A TO INHIBIT THE PROLIFERATION OF MAMMALIAN CELLS; ANTITUMOR AGENTS THE UNIVERSITY OF HAWAII (US) 2000-01-11 US disclosed
WO-1998046193-A2 SYNERGISTIC METHOD FOR TREATING A NEOPLASM ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046581-A1 SYNERGISTIC METHOD FOR TREATING CANCER ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046221-A1 METHOD FOR TREATING FUNGAL INFECTIONS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
EP-0870506-A1 Compositions comprising a cryptophycin compound in combination with a synchronizing or activating agent for treating cancer ELI LILLY AND COMPANY (US) 1998-10-14 EP disclosed
EP-0870510-A2 Synergistic combination comprising cryptophycin derivatives and microtubule synergizing agents ELI LILLY AND COMPANY (US) 1998-10-14 EP disclosed
EP-0870501-A1 Use of specific cryptophycin derivatives for the manufacture of a medicament in the treatment of fungal infections ELI LILLY AND COMPANY (US) 1998-10-14 EP disclosed
EP-0830136-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1998-03-25 EP disclosed
WO-1996040184-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1996-12-19 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-20020128185-A1 Pharmaceutical compounds XPO5, XPOT, XPO1 CA2 1454/4885CA4 625/4885CA5A 148/4885

“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.