SCHEMBL14655396

SCHEMBL14655396

C[C@H]1CC[C@@H](C(=O)O)N1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.47
ALDH1A1 P00352 2/20 0.45
PHGDH O43175 1/20 0.37
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.31
MGLL Q99685 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL6039468 1.00 ACE (0.47) ACEALDH1A1PHGDHRECQLKMT2A
SCHEMBL16635521 1.00 ACE (0.47) ACEALDH1A1PHGDHRECQLKMT2A
SCHEMBL3832250 1.00 ACE (0.47) ACEALDH1A1PHGDHRECQLKMT2A
SCHEMBL20399837 1.00 ACE (0.47) ACEALDH1A1PHGDHRECQLKMT2A
SCHEMBL15389898 1.00 ACE (0.47) ACEALDH1A1PHGDHRECQLKMT2A
SCHEMBL17979188 0.87 ACE (0.62) ACEALDH1A1RECQLKMT2AGLA
SCHEMBL19083695 0.84 ACE (0.46) ACEALDH1A1PHGDHRECQLKMT2A
SCHEMBL19083697 0.84 ACE (0.46) ACEALDH1A1PHGDHRECQLKMT2A
SCHEMBL4759483 0.83 ACE (0.37) ACEALDH1A1ATM
SCHEMBL4498432 0.83 PHGDH (0.44) ACEALDH1A1PHGDHRECQLGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117460734-A Pentacyclic derivatives as Zika virus inhibitors 吉利德科学公司 2024-01-26 CN disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-2550267-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 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-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP ACE 207/4885ALDH1A1 2142/4885PHGDH 4202/4885

“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.