SCHEMBL14924517

SCHEMBL14924517

CCC(I)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ TACR1 P25103 5/20 0.47
▸ KMT2A Q03164 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ SLC1A1 P43005 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19774557 0.88 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL12847428 0.80 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL28973808 0.80 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL10052366 0.78 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL13003073 0.78 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL9066577 0.77 TACR1 (0.57) TSHRCA1CA2CA7CA9
SCHEMBL997580 0.77 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL2717725 0.77 CA1 (0.68) TSHRCA1CA2CA7CA9
SCHEMBL19726048 0.77 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL17789132 0.77 TSHR (0.52) TSHRCA1CA2CA7CA9

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-20160046939-A1 5' MODIFIED NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2016-02-18 — — US disclosed
US-9127033-B2 5′ modified nucleosides and oligomeric compounds prepared therefrom ISIS PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
US-20130116420-A1 5' MODIFIED NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2013-05-09 — — 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-20130116420-A1 5' MODIFIED NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM RNMT, HNRNPM, NSUN2 TSHR 4367/4885CA1 4701/4885CA2 4666/4885

“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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