SCHEMBL14072971

SCHEMBL14072971

O=C1COc2ccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)cc2N1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAPT P10636 4/20 0.58
▸ SMYD3 Q9H7B4 1/20 0.55
▸ USP30 Q70CQ3 1/20 0.54
▸ P2RX7 Q99572 3/20 0.53
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.49
▸ MAOA P21397 1/20 0.48

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
SCHEMBL14073011 0.92 P2RX7 (0.52) GAAALDH1A1TSHRMAPTSMYD3
SCHEMBL14072965 0.84 GAA (0.63) GAAALDH1A1TSHRMAPTSMYD3
SCHEMBL14073071 0.84 PARP1 (0.50) GAAALDH1A1TSHRMAPTSMYD3
SCHEMBL29195071 0.80 ALDH1A1 (0.65) GAAALDH1A1TSHRMAPTSMYD3
SCHEMBL14072985 0.79 TSHR (0.85) GAAALDH1A1TSHRMAPTSMYD3
SCHEMBL14073622 0.77 POLB (0.59) ALDH1A1MAPTP2RX7LMNAPOLB
SCHEMBL532478 0.77 USP30 (0.67) GAAALDH1A1TSHRMAPTSMYD3
SCHEMBL14073372 0.77 KMT2A (0.54) ALDH1A1TSHRMAPTPOLBMAOA
SCHEMBL531798 0.77 TSHR (0.74) GAAALDH1A1TSHRMAPTSMYD3
SCHEMBL19691114 0.76 GAA (0.70) GAAALDH1A1TSHRMAPTSMYD3

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 GAA 208/4885ALDH1A1 714/4885TSHR 4343/4885

“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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