SCHEMBL18788394

SCHEMBL18788394

CCOc1nc(S(C)(=O)=O)nn2c([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3F)cnc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.41
▸ TACR2 P21452 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ PTPN1 P18031 7/20 0.33
▸ CDC25B P30305 7/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MDM2 Q00987 2/20 0.33
▸ NT5E P21589 1/20 0.33
▸ PTPN2 P17706 3/20 0.32
▸ PTPN6 P29350 3/20 0.32
▸ PTPN11 Q06124 3/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 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
SCHEMBL19292382 1.00 PDE2A (0.41) PDE2ATACR2CA1CA2CA9
SCHEMBL18787318 0.90 PDE2A (0.48) PDE2ATACR2CA1CA2CA9
SCHEMBL20653964 0.87 PDE2A (0.47) PDE2ATACR2CA1CA2CA9
SCHEMBL18788241 0.85 PDE2A (0.42) PDE2ATACR2CA1CA2CA9
SCHEMBL24160544 0.83 BCHE (0.33) BCHE
SCHEMBL20404016 0.83 PDE2A (0.40) PDE2ATACR2CA1CA2CA9
SCHEMBL19859840 0.82 PDE2A (0.42) PDE2ATACR2CA1CA2CA9
SCHEMBL18788255 0.78 TP53 (0.31) TP53
SCHEMBL23773180 0.78 PDE2A (0.31) PDE2A
SCHEMBL18787315 0.77 PDE2A (0.52) PDE2ACA1CA2CA9HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787832-B2 2′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2023-10-17 — — US disclosed
EP-3932931-A1 A NEBULIZER COMPRISING A PHARMACEUTICAL COMPOSITION COMPRISING 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2022-01-05 — — EP disclosed
US-20210253622-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2021-08-19 — — US disclosed
EP-3351552-B1 2'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2021-05-19 — — EP disclosed
US-10941177-B2 2′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2021-03-09 — — US disclosed
US-20190016749-A1 2'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2019-01-17 — — US disclosed
EP-3351552-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2018-07-25 — — EP disclosed
EP-3210993-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-08-30 — — EP disclosed
US-20170114086-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-04-27 — — 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 (5 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-20210253622-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, SLC29A1, RNMT PDE2A 507/4885TACR2 4679/4885CA1 1593/4885
US-20190016749-A1 2'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, SLC29A1, RNMT PDE2A 507/4885TACR2 4679/4885CA1 1593/4885
US-20170114086-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, SLC29A1, RNMT PDE2A 507/4885TACR2 4679/4885CA1 1593/4885
US-11787832-B2 2′-substituted carba-nucleoside analogs for antiviral treatment PNP, RNMT, SLC29A1 PDE2A 491/4885TACR2 4707/4885CA1 1995/4885
US-10941177-B2 2′-substituted carba-nucleoside analogs for antiviral treatment PNP, RNMT, SLC29A1 PDE2A 491/4885TACR2 4707/4885CA1 1995/4885

“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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