SCHEMBL1417545

SCHEMBL1417545

COC(=O)C1(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)CC=CC1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL1417551 0.81 TSHR (0.47) MEN1KMT2ACYP3A4CYP2C19MAPT
SCHEMBL4132973 0.69
SCHEMBL4126824 0.69 AKR1C1 (0.34) MEN1KMT2ATSHR
SCHEMBL9196415 0.68 ALDH1A1 (0.30) CYP3A4
SCHEMBL4124776 0.68 MMP1 (0.35) MEN1KMT2ACYP3A4TSHR
SCHEMBL10380439 0.67 LMNA (0.32)
SCHEMBL187155 0.66
SCHEMBL4122126 0.66
SCHEMBL8175504 0.66 TSHR (0.30) KMT2ATSHR
SCHEMBL8167660 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298783-B1 Anti-viral nucleoside analogs and methods for treating viral infections, especially hiv infections UNIV YALE (US) 2017-12-06 EP disclosed
US-9126971-B2 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections YALE UNIVERSITY (US) 2015-09-08 US disclosed
US-20120252751-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-8193165-B2 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections YALE UNIVERSITY (US) 2012-06-05 US disclosed
EP-2298783-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially hiv infections Yale University (US) 2011-03-23 EP disclosed
US-20100048500-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 US disclosed
US-7589078-B2 Using a dideoxy and didehydro nucleoside YALE UNIVERSITY (US) 2009-09-15 US disclosed
EP-1653976-A4 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS UNIV YALE (US) 2009-07-29 EP disclosed
EP-1653976-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS YALE UNIVERSITY (US) 2006-05-10 EP disclosed
WO-2005011709-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS YALE UNIVERSITY (US) 2005-02-10 WO disclosed
US-20040167096-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections YALE UNIVERSITY 2004-08-26 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-20100048500-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections TYMP, ITPA, SAMHD1 MEN1 4618/4885KMT2A 1891/4885CYP3A4 1115/4885
US-20120252751-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS TYMP, ITPA, SAMHD1 MEN1 4618/4885KMT2A 1891/4885CYP3A4 1115/4885
US-20040167096-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections CCR1, CCR4, CCR3 MEN1 3929/4885KMT2A 4190/4885CYP3A4 567/4885

“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.