SCHEMBL14073044

SCHEMBL14073044

O=C(Cc1ccc2c(c1)NC(=O)CO2)NCc1ccc2c(c1)OCO2

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.73
▸ HPGD P15428 5/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPK1 P28482 2/20 0.55
▸ PARP1 P09874 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.53

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
SCHEMBL14073116 0.93 PARP1 (0.62) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL14073051 0.86 PARP1 (0.70) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL14072963 0.84 TSHR (1.00) TSHRHPGDNPC1ALDH1A1MAPK1
SCHEMBL14073354 0.84 TSHR (0.55) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL14073090 0.84 PARP1 (0.55) TSHRALDH1A1PARP1KMT2A
SCHEMBL179025 0.84 HPGD (0.84) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14073046 0.83 TSHR (0.52) TSHRALDH1A1PARP1KMT2A
SCHEMBL14073212 0.83 PKM (0.59) TSHRRAB9AALDH1A1PARP1L3MBTL1
SCHEMBL14073081 0.81 TSHR (0.50) TSHRALDH1A1PARP1KMT2A
SCHEMBL14073063 0.81 PARP1 (0.54) TSHRALDH1A1MAPK1PARP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 TSHR 4343/4885HPGD 89/4885NPC1 2740/4885

“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.

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