SCHEMBL14820138

SCHEMBL14820138

CSc1nc(C(=O)O)c(C(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ COPS5 Q92905 4/20 0.37
▸ PKM P14618 1/20 0.34
▸ LIG1 P18858 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14805669 0.81 COPS5 (0.37) COPS5
SCHEMBL14820153 0.81 NPSR1 (0.42) PKMMEN1KMT2ALMNAALDH1A1
SCHEMBL1431563 0.76 COPS5 (0.39) COPS5ALDH1A1MAPTHPGDNPC1
SCHEMBL10175758 0.76 COPS5 (0.39) COPS5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14820306 0.76 LMNA (0.39) PKMLIG1MEN1KMT2ALMNA
SCHEMBL4298474 0.74 COPS5 (0.38) COPS5ALDH1A1MAPTSMN1; SMN2
SCHEMBL2213156 0.74 ALDH1A1 (0.44) COPS5MEN1KMT2AALDH1A1HPGD
SCHEMBL14820294 0.74 ALDH1A1 (0.44) PKMLIG1MEN1KMT2ALMNA
SCHEMBL1489356 0.74 LMNA (0.41) COPS5PKMLIG1MEN1KMT2A
SCHEMBL1760032 0.71 COPS5 (0.37) COPS5ALDH1A1HPGDKDM4E

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-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 — — US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 — — US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 — — 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B COPS5 213/4885PKM 3821/4885LIG1 84/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B COPS5 213/4885PKM 3821/4885LIG1 84/4885

“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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