SCHEMBL12243221

SCHEMBL12243221

CSc1nc(SC)c2ncc(C3(C#N)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)n2n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GAPDH P04406 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ HTT P42858 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
SCHEMBL15084427 0.93 ALDH1A1 (0.34) ALDH1A1POLBTDP1HTT
SCHEMBL881368 0.88 MAPT (0.35) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL10186058 0.88 MAPT (0.35) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL12398065 0.88 MAPT (0.35) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL12243138 0.85 ALDH1A1 (0.33) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL12836497 0.85 NPC1 (0.34) ALDH1A1POLBTDP1
SCHEMBL881794 0.82 ALDH1A1 (0.35) MAPTALDH1A1POLBTDP1KDM4E
SCHEMBL10148643 0.80 P2RY11 (0.37) MAPTALDH1A1POLBMEN1USP2
SCHEMBL10149715 0.80 P2RY11 (0.37) MAPTALDH1A1POLBMEN1USP2
SCHEMBL881354 0.80 ALDH1A1 (0.35) MAPTALDH1A1POLBTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs GILEAD SCIENCES, INC. (US) 2018-07-17 — — US disclosed
EP-2480559-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-CYANO-CARBANUCLEOSIDE ANALOGS GILEAD SCIENCES INC (US) 2013-07-03 — — EP disclosed
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-09-22 — — US disclosed
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-09-22 — — US disclosed
WO-2011035250-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-03-24 — — WO 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-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs PNP, TYMP, CDA MAPT 4100/4885ALDH1A1 873/4885POLB 19/4885
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS PNP, TYMP, CDA MAPT 4095/4885ALDH1A1 755/4885POLB 18/4885

“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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