Sugi Predict

Sugi Predict / Compounds / SCHEMBL13745017

SCHEMBL13745017

SCHEMBL13745017

COc1c(C)cccc1CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.41
▸ SCN8A Q9UQD0 3/20 0.38
▸ SCN4A P35499 7/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SCN1A P35498 2/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ CACNA1F O60840 1/20 0.35
▸ KCNK2 O95069 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 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
SCHEMBL4487531 0.83 SCN8A (0.38) SCN8ASCN4ACYP2D6TSHRLMNA
SCHEMBL14882765 0.81 SCN8A (0.36) SCN8ASCN4ACYP2D6TSHRLMNA
SCHEMBL17124035 0.81 SCN4A (0.34) SCN8ASCN4ACYP2D6TSHRLMNA
SCHEMBL15299133 0.81 SCN4A (0.34) SCN8ASCN4ACYP2D6TSHRLMNA
SCHEMBL10190891 0.81 RIPK1 (0.49) RIPK1CYP2D6TSHRCYP1A2CYP3A4
SCHEMBL13344106 0.78 GABRA1 (0.43) SCN8ASCN4ACYP2D6TSHRLMNA
SCHEMBL24378512 0.76 SCN8A (0.40) SCN8ASCN4ACYP2D6TSHRLMNA
SCHEMBL4513903 0.76 SCN4A (0.41) SCN8ASCN4ACYP2D6TSHRLMNA
SCHEMBL4897798 0.76 PDCD1 (0.41) SCN8ASCN4ACYP2D6TSHRLMNA
SCHEMBL11123175 0.76 SCN8A (0.40) SCN8ASCN4ACYP2D6TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10786502-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators Apros Therapeutics, Inc. (US) 2020-09-29 — — US disclosed
US-20190314372-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS Apros Therapeutics, Inc. 2019-10-17 — — US disclosed
US-20130116203-A1 ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-09 — — US disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 — — 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-20190314372-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS MAVS, TLR7, STING1 RIPK1 752/4885SCN8A 4586/4885SCN4A 4635/4885
US-20130116203-A1 ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME GGCT, GSTK1, GSTA1 RIPK1 3169/4885SCN8A 3357/4885SCN4A 1587/4885
US-10786502-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators TLR7, TLR9, MAVS RIPK1 506/4885SCN8A 4450/4885SCN4A 4498/4885
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors HSP90AB1, HSP90AB2P, HSP90B1 RIPK1 2995/4885SCN8A 3141/4885SCN4A 2754/4885

“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.