SCHEMBL18503244

SCHEMBL18503244

CC(C)(C)CCOCCCCCCCCCCCCCCC(C)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 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
SCHEMBL18503201 1.00 HRH3 (0.38) HRH3CES2CES1MEN1THRB
SCHEMBL18503282 0.93 HRH3 (0.41) HRH3CES2CES1MEN1THRB
SCHEMBL18503155 0.91 HRH3 (0.40) HRH3CES2CES1MEN1THRB
SCHEMBL18503203 0.91 HRH3 (0.40) HRH3CES2CES1MEN1THRB
SCHEMBL25939787 0.86 HRH3 (0.44) HRH3MEN1THRBHTTKMT2A
SCHEMBL14586412 0.84 HRH3 (0.46) HRH3MEN1THRBHTTKMT2A
SCHEMBL18503254 0.83 HRH3 (0.39) HRH3CES2CES1
SCHEMBL18511787 0.83 HRH3 (0.36) HRH3CES2CES1
SCHEMBL18511897 0.83 HRH3 (0.36) HRH3CES2CES1
SCHEMBL18503204 0.83 HRH3 (0.39) HRH3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207299-A1 PYRROLOPYRIMIDINE NUCLEOSIDES FOR TREATING OR PREVENTING A SARS-COV-2 INFECTION CHIMERIX, INC. (US) 2024-06-27 US disclosed
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-09-07 US disclosed
US-9708359-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2017-07-18 US disclosed
US-9701706-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2017-07-11 US disclosed
US-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-05-18 US disclosed
US-20170044202-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-02-16 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 (4 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-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD HRH3 4426/4885CES2 797/4885CES1 626/4885
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD HRH3 4426/4885CES2 797/4885CES1 626/4885
US-20170044202-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, ITPA, IMPDH1 HRH3 4431/4885CES2 1165/4885CES1 1082/4885
US-20240207299-A1 PYRROLOPYRIMIDINE NUCLEOSIDES FOR TREATING OR PREVENTING A SARS-COV-2 INFECTION PNP, ACE2, TYMP HRH3 4439/4885CES2 1241/4885CES1 1198/4885

“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.