SCHEMBL4035568

SCHEMBL4035568

CCOC(=O)CNc1ccc(C(=O)OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
RAB9A P51151 5/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 4/20 0.59
NPC1 O15118 2/20 0.59
AGTR1 P30556 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CASP1 P29466 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL7338663 0.92 TSHR (0.65) POLBRAB9AALDH1A1HPGDNPC1
SCHEMBL11815924 0.85 POLB (0.60) POLBRAB9AALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL1624734 0.85 ALDH1A1 (0.64) POLBRAB9AALDH1A1HPGDNPC1
SCHEMBL6380991 0.84 POLB (0.58) POLBRAB9AALDH1A1HPGDNPC1
SCHEMBL23310021 0.83 POLB (0.66) POLBRAB9AALDH1A1HPGDNPC1
SCHEMBL4035087 0.83 POLB (0.65) POLBRAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3136136 0.82 POLB (0.68) POLBRAB9AALDH1A1HPGDNPC1
Water SCHEMBL9248793 0.81 POLB (0.63) POLBRAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL1372423 0.81 POLB (0.63) POLBALDH1A1HPGDMAPTKDM4E
SCHEMBL16166399 0.81 POLB (0.56) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594497-B1 SULFHYDANTOINS AS PHOSPHATE ISOSTERES FOR USE AS PHOSPHATASE INHIBITORS IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERTEX PHARMA (US) 2009-05-27 EP disclosed
US-7432292-B2 Sulfhydantoins as phosphate isosteres VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-07 US disclosed
US-7432292-B2 Sulfhydantoins as phosphate isosteres VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-07 US disclosed
EP-1594497-A1 SULFHYDANTOINS AS PHOSPHATE ISOSTERES FOR USE AS PHOSPHATASE INHIBITORS IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2005-11-16 EP disclosed
US-20040167187-A1 Sulfhydantoins as phosphate isosteres VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
WO-2004062664-A1 SULFHYDANTOINS AS PHOSPHATE ISOSTERES FOR USE AS PHOSPHATASE INHIBITORS IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-29 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-20040167187-A1 Sulfhydantoins as phosphate isosteres PTPN2, PTPRS, DUSP2 POLB 4610/4885RAB9A 2071/4885ALDH1A1 2653/4885

“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.