SCHEMBL2016842

SCHEMBL2016842

CC(=O)Oc1ccc(C(=O)O)n(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 4/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
CFD P00746 2/20 0.45
HSD17B10 Q99714 5/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
GGT1 P19440 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.40
PIM1 P11309 1/20 0.39

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
SCHEMBL27757236 0.64 PTGS2 (0.46) KDM4EALDH1A1TSHRGAAHSD17B10
SCHEMBL22616159 0.64 CFD (0.51) KDM4EALDH1A1TSHRRAB9AGAA
SCHEMBL12723861 0.64 ACHE (0.57) KDM4EALDH1A1TSHRRAB9AGAA
SCHEMBL27919448 0.63 HSD17B10 (0.49) KDM4EALDH1A1TSHRHSD17B10PTGS1
SCHEMBL11532843 0.63 KDM4E (0.47) KDM4EALDH1A1TSHRRAB9AGAA
SCHEMBL30154503 0.63 TSHR (1.00) KDM4EALDH1A1TSHRRAB9AGAA
SCHEMBL640263 0.63 TSHR (1.00) KDM4EALDH1A1TSHRRAB9AGAA
SCHEMBL10378556 0.62 PIM1 (0.82) KDM4EALDH1A1TSHRRAB9AGAA
SCHEMBL6996922 0.62 CA12 (0.63) KDM4EALDH1A1TSHRRAB9AGAA
SCHEMBL10387591 0.62 PTGS2 (0.62) KDM4EALDH1A1TSHRRAB9AGAA

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
EP-3263562-A1 RADIOPHARMACEUTICAL COMPLEXES Lumiphore, Inc. (US) 2018-01-03 EP disclosed
EP-2516407-A1 RADIOPHARMACEUTICAL COMPLEXES Lumiphore, Inc. (US) 2012-10-31 EP disclosed
US-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES LUMIPHORE, INC. (US) 2011-08-04 US disclosed
WO-2011079291-A1 RADIOPHARMACEUTICAL COMPLEXES LUMIPHORE, INC. (US) 2011-06-30 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-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES SLC39A3, SLC30A5, SLC40A1 KDM4E 3181/4885ALDH1A1 3214/4885TSHR 238/4885

“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.