SCHEMBL12229763

SCHEMBL12229763

CCOP(=O)(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 3/20 0.49
▸ PGK1 P00558 2/20 0.46
▸ PGK2 P07205 2/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ CES2 O00748 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL13175075 0.86 HMGCR (0.42) PGK1PGK2MEN1KMT2AALDH1A1
SCHEMBL12229787 0.86 HMGCR (0.42) PGK1PGK2MEN1KMT2AALDH1A1
SCHEMBL12229689 0.84 NPSR1 (0.47) ACP3PGK1PGK2NPSR1GAA
SCHEMBL12229774 0.84 HMGCR (0.39) ACP3PGK1PGK2NPSR1GAA
SCHEMBL8956972 0.78 ACP3 (0.68) ACP3PGK1PGK2NPSR1GAA
SCHEMBL12229780 0.78 MEN1 (0.42) ACP3LMNAMEN1KMT2AALDH1A1
SCHEMBL11650654 0.77 PGK1 (0.54) ACP3PGK1PGK2NPSR1LMNA
SCHEMBL14114270 0.77 ACHE (0.41) PGK1PGK2GAALMNAMEN1
SCHEMBL14114290 0.77 PGK1 (0.73) ACP3PGK1PGK2NPSR1CA12
SCHEMBL7778593 0.77 PGK1 (0.58) ACP3PGK1PGK2NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 — — US disclosed
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 — — US disclosed
EP-2256124-A1 Phospho-indoles as HIV inhibitors IDENIX Pharmaceuticals, Inc. (US) 2010-12-01 — — EP disclosed
EP-1961757-B1 Phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS INC (US) 2010-09-01 — — EP disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 — — US disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 — — US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 — — US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 — — US disclosed
EP-1799696-B1 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-11-12 — — EP 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-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDO1, PPP5C, INMT ACP3 580/4885PGK1 59/4885PGK2 78/4885

“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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