SCHEMBL18503196

SCHEMBL18503196

CCCCCCCCCCCCCCCCCCOCCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
THRB P10828 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
CES2 O00748 2/20 0.44
CES1 P23141 1/20 0.44
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
GBA2 Q9HCG7 2/20 0.37

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
SCHEMBL18503150 1.00 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL29332226 1.00 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL29332222 1.00 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL18503187 1.00 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL10136277 1.00 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL18503217 1.00 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL18503160 1.00 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL2280804 1.00 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL2182488 0.98 HTT (0.48) HTTTHRBMEN1KMT2AMAPT
Pentane SCHEMBL27657066 0.95 HTT (0.46) HTTTHRBMEN1KMT2AMAPT

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 HTT 3876/4885THRB 4398/4885MEN1 3288/4885
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD HTT 3876/4885THRB 4398/4885MEN1 3288/4885
US-20170044202-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, ITPA, IMPDH1 HTT 3002/4885THRB 4124/4885MEN1 3416/4885
US-20240207299-A1 PYRROLOPYRIMIDINE NUCLEOSIDES FOR TREATING OR PREVENTING A SARS-COV-2 INFECTION PNP, ACE2, TYMP HTT 1544/4885THRB 4652/4885MEN1 4367/4885

“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.