SCHEMBL20216003

SCHEMBL20216003

O=P(O)(O)OCc1ccc(C#Cc2ccc(CO)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
AKR1C3 P42330 1/20 0.39
EGLN1 Q9GZT9 2/20 0.37
FFAR1 O14842 4/20 0.37
ACACB O00763 2/20 0.35
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRB P23467 1/20 0.34
PTPN6 P29350 1/20 0.34
CDC25A P30304 1/20 0.34
PTPN11 Q06124 1/20 0.34
CETP P11597 1/20 0.33

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
SCHEMBL28365963 0.89 TSHR (0.50) TSHRAKR1C3S1PR1S1PR3CETP
SCHEMBL17345002 0.81 TSHR (0.58) TSHRAKR1C3S1PR1S1PR3PTPRC
SCHEMBL17954245 0.81 TSHR (0.41) TSHRAKR1C3ACACB
SCHEMBL27749562 0.79 RAB9A (0.49) TSHRAKR1C3S1PR1S1PR3
SCHEMBL16624600 0.77 TSHR (0.48) TSHREGLN1FFAR1FFAR4
SCHEMBL8384625 0.75 TSHR (0.52) TSHRAKR1C3PTPN1CETP
SCHEMBL1692261 0.73 APP (0.54) TSHREGLN1FFAR1PTPN1
SCHEMBL207268 0.72 RAB9A (0.53) TSHRAKR1C3S1PR1S1PR3
SCHEMBL12786033 0.72 TSHR (0.48) TSHRAKR1C3S1PR1S1PR3
SCHEMBL19917829 0.72 TSHR (0.48) TSHRAKR1C3S1PR1S1PR3PTPRC

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-10519446-B2 Organic compounds to treat hepatitis B virus NOVARTIS AG (CH) 2019-12-31 US disclosed
US-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 TSHR 4263/4885AKR1C3 3753/4885EGLN1 1372/4885

“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.