SCHEMBL14073011

SCHEMBL14073011

O=C1COc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.52
▸ GAA P10253 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CA2 P00918 1/20 0.49
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ SMYD3 Q9H7B4 2/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ LMNA P02545 1/20 0.45

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
SCHEMBL14072971 0.92 GAA (0.61) P2RX7GAAALDH1A1TSHRCA2
SCHEMBL14073000 0.83 CNR2 (0.51) GAAALDH1A1MAPTCNR1CNR2
SCHEMBL14072999 0.76 USP30 (0.56) GAAALDH1A1TSHRCA2PRMT5
SCHEMBL14073896 0.76 POLB (0.59) P2RX7ALDH1A1MAPT
SCHEMBL14073071 0.76 PARP1 (0.50) GAAALDH1A1TSHRMAPTSMYD3
SCHEMBL14072996 0.76 TSHR (0.61) ALDH1A1TSHRPRMT5WDR77MAPT
SCHEMBL14072965 0.76 GAA (0.63) GAAALDH1A1TSHRMAPTCNR2
SCHEMBL14073033 0.75 TSHR (0.76) GAAALDH1A1TSHRPRMT5WDR77
SCHEMBL25716968 0.75 GAA (0.81) GAASMYD3
SCHEMBL14073027 0.74 ROCK2 (0.59) ALDH1A1TSHRPRMT5WDR77

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 P2RX7 1588/4885GAA 208/4885ALDH1A1 714/4885

“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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