SCHEMBL14599861

SCHEMBL14599861

Cc1cncc(OCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
MCL1 Q07820 1/20 0.46
ALOX15 P16050 1/20 0.46
HPGD P15428 1/20 0.45
PTPRB P23467 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
FFAR1 O14842 1/20 0.44
ATM Q13315 1/20 0.43
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN7 P35236 1/20 0.42
THRA P10827 1/20 0.41

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
SCHEMBL1613109 0.79 HPGD (0.56) MCL1ALOX15HPGDPTPRBHSD17B10
SCHEMBL5387851 0.79 LMNA (0.56) MCL1ALOX15HPGDPTPRBHSD17B10
SCHEMBL2841832 0.79 CHRNB2 (0.50) HCAR2MCL1ALOX15CHRNB2CHRNA4
SCHEMBL29416512 0.79 LDHA (0.49) HCAR2MCL1ALOX15HPGDPTPRB
SCHEMBL21328699 0.79 LDHA (0.49) HCAR2MCL1ALOX15HPGDPTPRB
Hydrochloric Acid SCHEMBL5762590 0.77 HPGD (0.54) MCL1ALOX15HPGDPTPRBHSD17B10
SCHEMBL13535018 0.77 PLA2G4B (0.60)
SCHEMBL21240948 0.76 L3MBTL1 (0.41) HCAR2MCL1ATMCHRNB1CHRNB2
SCHEMBL7446499 0.75 ALOX15 (0.54) HCAR2MCL1ALOX15HSD17B10LMNA
SCHEMBL10061804 0.75 CHRNB2 (0.47) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 HCAR2 4597/4885MCL1 1381/4885ALOX15 3167/4885

“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.