SCHEMBL19774557

SCHEMBL19774557

IC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.61
▸ CA1 P00915 4/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA7 P43166 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ TACR1 P25103 4/20 0.53
▸ SLC1A1 P43005 1/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AGXT P21549 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ AGER Q15109 1/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL14924517 0.88 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL28973808 0.83 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL21848157 0.81 TSHR (0.67) TSHRCA1CA2CA7CA9
SCHEMBL2218905 0.79 CA1 (0.58) TSHRCA1CA2CA7CA9
SCHEMBL3764113 0.79 SLC1A1 (0.46) TSHRCA1CA2CA7CA9
SCHEMBL14924515 0.79 TSHR (0.42) TSHRCA1CA2CA7CA9
SCHEMBL10463126 0.78 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL19250814 0.78 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL18163746 0.78 SLC1A1 (0.55) TSHRCA1CA2CA7CA9
SCHEMBL4382418 0.77 CA1 (0.66) 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-20200385722-A1 5' MODIFIED NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM IONIS PHARMACEUTICALS, INC. (US) 2020-12-10 — — US disclosed
US-10676738-B2 5′ modified nucleosides and oligomeric compounds prepared therefrom IONIS PHARMACEUTICALS, INC. (US) 2020-06-09 — — US disclosed
EP-3091027-B1 5' MODIFIED NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM IONIS PHARMACEUTICALS INC (US) 2018-01-17 — — EP 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-10676738-B2 5′ modified nucleosides and oligomeric compounds prepared therefrom NOP2, FBL, RNMT TSHR 3393/4885CA1 4030/4885CA2 2800/4885
US-20200385722-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.

Send feedback