SCHEMBL12150458

SCHEMBL12150458

CC[C@H]1O[C@@H](n2cnc(C#N)n2)[C@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ PNP P00491 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ EIF4E P06730 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TOP1 P11387 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADK P55263 2/20 0.38
▸ ATG7 O95352 1/20 0.37
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ SLC5A2 P31639 1/20 0.34
▸ AHCY P23526 1/20 0.34
▸ HSPA8 P11142 1/20 0.34

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
SCHEMBL13352081 0.88 LMNA (0.59) LMNAPNPSMN1; SMN2ADORA1ALDH1A1
SCHEMBL9780439 0.88 LMNA (0.59) LMNAPNPSMN1; SMN2ADORA1ALDH1A1
SCHEMBL13320587 0.88 LMNA (0.59) LMNAPNPSMN1; SMN2ADORA1ALDH1A1
SCHEMBL12151512 0.87 ADORA3 (0.44) LMNAPNPSMN1; SMN2ADORA1ALDH1A1
SCHEMBL12300351 0.84 LMNA (0.44) LMNAPNPSMN1; SMN2ADORA1ALDH1A1
SCHEMBL6917119 0.82 LMNA (0.42) LMNAPNPSMN1; SMN2ADORA1ALDH1A1
SCHEMBL9780402 0.80 ATG7 (0.58) ATG7
SCHEMBL12879162 0.77 LMNA (0.40) LMNASMN1; SMN2ALDH1A1
SCHEMBL12150456 0.77 LMNA (0.40) LMNASMN1; SMN2ALDH1A1
SCHEMBL6914219 0.76 LMNA (0.40) LMNAPNPSMN1; SMN2ADORA1ALDH1A1

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-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 — — 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 (3 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-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP LMNA 2918/4885PNP 3/4885SMN1; SMN2 2517/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP LMNA 2918/4885PNP 3/4885SMN1; SMN2 2517/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN LMNA 2680/4885PNP 94/4885SMN1; SMN2 3947/4885

“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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