SCHEMBL5116336

SCHEMBL5116336

Cc1c(N)cccc1-c1ccc(C(=O)O)s1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
ALDH1A1 P00352 4/20 0.51
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGDS O60760 1/20 0.45
DAO P14920 1/20 0.44

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
SCHEMBL3362511 0.83 HPGD (0.56) HPGDHSD17B1HSD17B2ALDH1A1POLB
SCHEMBL12987369 0.83 HPGD (0.56) HPGDHSD17B1HSD17B2ALDH1A1POLB
Bromide SCHEMBL3360705 0.81 HPGD (0.55) HPGDHSD17B1HSD17B2ALDH1A1POLB
Bromide SCHEMBL3361562 0.81 HPGD (0.55) HPGDHSD17B1HSD17B2ALDH1A1POLB
SCHEMBL3361353 0.81 HPGD (0.54) HPGDHSD17B1HSD17B2ALDH1A1POLB
SCHEMBL5924735 0.77 HPGD (1.00) HPGDHSD17B1HSD17B2ALDH1A1POLB
SCHEMBL24573253 0.75 HPGD (0.67) HPGDHSD17B1HSD17B2ALDH1A1POLB
SCHEMBL18186479 0.75 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL3011019 0.74 HPGD (0.53) HPGDHSD17B1HSD17B2ALDH1A1POLB
SCHEMBL27836102 0.74 HPGD (0.56) HPGDALDH1A1POLBRAB9AMEN1

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-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR HPGD 3761/4885HSD17B1 1152/4885HSD17B2 1637/4885

“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.