Sugi Predict

Sugi Predict / Compounds / SCHEMBL18874584

SCHEMBL18874584

SCHEMBL18874584

CCCOCCCCCCCCCCCCCCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 2/20 0.47
▸ CYP1A2 P05177 1/20 0.43
▸ HTT P42858 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SPHK1 Q9NYA1 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ EPHX2 P34913 3/20 0.36
▸ SIGMAR1 Q99720 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ USP2 O75604 1/20 0.35

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
SCHEMBL18512394 1.00 SPHK2 (0.47) SPHK2CYP1A2HTTMEN1KMT2A
SCHEMBL23014885 0.91 CYP1A2 (0.50) SPHK2CYP1A2HTTMEN1KMT2A
SCHEMBL23014720 0.91 CYP1A2 (0.56) SPHK2CYP1A2HTTMEN1KMT2A
SCHEMBL12354882 0.91 CYP1A2 (0.48) SPHK2CYP1A2HTTMEN1KMT2A
SCHEMBL18511790 0.91 CYP1A2 (0.48) SPHK2CYP1A2HTTMEN1KMT2A
SCHEMBL10648552 0.90 CYP1A2 (0.59) SPHK2CYP1A2SPHK1SIGMAR1
SCHEMBL31317651 0.88 SIGMAR1 (0.42) SPHK2CYP1A2HTTMEN1KMT2A
SCHEMBL9591265 0.84 CYP1A2 (0.50) SPHK2CYP1A2HTTMEN1KMT2A
SCHEMBL9591269 0.84 CYP1A2 (0.50) SPHK2CYP1A2HTTMEN1KMT2A
SCHEMBL23014799 0.84 CYP1A2 (0.39) SPHK2CYP1A2HTTMEN1KMT2A

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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto UNIV EMORY (US) 2022-09-22 — — US claimed
EP-4017499-A1 NUCLEOSIDE PRODRUGS AND USES RELATED THERETO Emory University (US) 2022-06-29 — — EP claimed
WO-2021035214-A1 NUCLEOSIDE PRODRUGS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2021-02-25 — — WO claimed
EP-3331895-B1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF USEFUL AS ANTIVIRAL AGENTS CHIMERIX INC (US) 2020-07-29 — — EP 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-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-05-18 — — 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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto PNPO, GSTO1, CYP2C18 SPHK2 2404/4885CYP1A2 38/4885HTT 3975/4885
US-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD SPHK2 674/4885CYP1A2 1115/4885HTT 3876/4885
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD SPHK2 674/4885CYP1A2 1115/4885HTT 3876/4885

“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.