SCHEMBL14801334

SCHEMBL14801334

O=C(O)[C@H]1CN(C(=O)O)C[C@@H]1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
HSD11B2 P80365 1/20 0.41
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GABRR1 P24046 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
SCHEMBL14801336 1.00 HSD11B1 (0.41) HSD11B1HSD11B2SLC1A2SLC1A1GABRR1
SCHEMBL14801335 1.00 HSD11B1 (0.41) HSD11B1HSD11B2SLC1A2SLC1A1GABRR1
SCHEMBL23924201 0.90 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL23924199 0.90 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL23924373 0.87 TSHR (0.33) HSD11B1HSD11B2
SCHEMBL23924375 0.87 TSHR (0.33) HSD11B1HSD11B2
SCHEMBL4600592 0.79 GABRR1 (0.39) GABRR1
SCHEMBL6127513 0.77 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL6127508 0.77 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL28690194 0.76 HSD11B1 (0.57) HSD11B1HSD11B2

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-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
EP-2758402-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES Pfizer Inc (US) 2014-07-30 EP disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
WO-2013042006-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. (US) 2013-03-28 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 (2 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-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS HSD11B1 4756/4885HSD11B2 4814/4885SLC1A2 2656/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS HSD11B1 4756/4885HSD11B2 4814/4885SLC1A2 2656/4885

“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.