SCHEMBL10026397

SCHEMBL10026397

CC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C(OS(=O)(=O)C(F)(F)F)[C@H]1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52
ADORA3 P0DMS8 6/20 0.51
NT5E P21589 10/20 0.49
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA2B P29275 1/20 0.49
PDE2A O00408 3/20 0.48
ADRA1A P35348 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
CD99 P14209 1/20 0.48
IARS1 P41252 1/20 0.45

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
SCHEMBL29313522 0.86 RXFP1 (0.49) ADORA3ADORA2AADORA1ADORA2BPDE4D
SCHEMBL17032322 0.86 RXFP1 (0.49) ADORA3ADORA2AADORA1ADORA2BPDE4D
SCHEMBL10026398 0.84 NT5E (0.49) CA1CA2CA4CA9ADORA3
SCHEMBL20347294 0.82 NT5E (0.52) CA1CA2CA4CA9NT5E
SCHEMBL10026390 0.81 ALDH1A1 (0.59) CA1CA2CA4CA9ADORA3
SCHEMBL10026396 0.80 ADORA3 (0.61) CA1CA2CA4CA9ADORA3
SCHEMBL10026379 0.80 ADORA3 (0.61) CA1CA2CA4CA9ADORA3
SCHEMBL12151646 0.80 RXFP1 (0.38) ADORA3ADORA2AADORA1ADORA2BIARS1
SCHEMBL10026378 0.80 PDE2A (0.67) CA1CA2CA4CA9ADORA3
SCHEMBL12139442 0.80 PDE2A (0.67) CA1CA2CA4CA9ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648188-B2 Preparation of 2-chloro-9-(2′-deoxy-2′-fluoro-β-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN, LTD. (TW) 2014-02-11 US disclosed
US-20120010397-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-Beta-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN LTD. 2012-01-12 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-20120010397-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-Beta-D-arabinofuranosyl)-adenine HPRT1, TYMP, MTAP CA1 1116/4885CA2 758/4885CA4 330/4885

“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.