SCHEMBL9912349

SCHEMBL9912349

CCCCOC[C@@H]1C[C@H](C)[C@H](c2ccc(C#N)n2N)O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12388338 0.82 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TDP1USP2POLB
SCHEMBL9912330 0.81 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TDP1USP2POLB
SCHEMBL14038379 0.75 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL13696400 0.72 DOT1L (0.35) SMN1; SMN2ALDH1A1USP2POLBALOX15
SCHEMBL9912317 0.72 DOT1L (0.35) SMN1; SMN2ALDH1A1USP2POLBALOX15
SCHEMBL13532238 0.70 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL12388333 0.70 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1USP2POLB
SCHEMBL13532236 0.69 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1USP2POLBALOX15
SCHEMBL14406304 0.67 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL9912314 0.67 PIK3CD (0.32) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
US-7994139-B2 Antiviral therapeutic agents BIOCRYST PHARMACEUTICALS, INC. (US) 2011-08-09 — — US disclosed
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-01-21 — — 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 (2 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-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS SMN1; SMN2 2147/4885ALDH1A1 2126/4885TDP1 1008/4885
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS TYMP, SAMHD1, TYMS SMN1; SMN2 1206/4885ALDH1A1 1604/4885TDP1 669/4885

“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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