Sugi Predict

Sugi Predict / Compounds / SCHEMBL10258334

SCHEMBL10258334

SCHEMBL10258334

COc1ccc(P2(=S)SP(=S)(c3ccc(CO)cc3)S2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ IDO1 P14902 4/20 0.40
▸ CALM1 P0DP23 1/20 0.39
▸ LTA4H P09960 2/20 0.38
▸ AGXT P21549 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL7961 0.86 CA1 (0.50) ALDH1A1MIFIDO1LTA4HCA12
SCHEMBL12999906 0.86 CA1 (0.50) ALDH1A1MIFIDO1LTA4HCA12
SCHEMBL10077999 0.81 ESR2 (0.53) ALDH1A1PKMCALM1LTA4HCA12
SCHEMBL12036171 0.81 IDO1 (0.34) ALDH1A1IDO1AGXTTAAR1CA12
SCHEMBL27329 0.80 IDO1 (0.58) ALDH1A1PKMIDO1CALM1LTA4H
SCHEMBL4181089 0.80 IDO1 (0.58) ALDH1A1PKMIDO1CALM1LTA4H
SCHEMBL78695 0.79 ACHE (0.58) ALDH1A1CA12CA1CA2CA9
SCHEMBL1477048 0.78 IDO1 (0.56) ALDH1A1PKMIDO1CALM1LTA4H
Methoxymethane SCHEMBL28284584 0.78 IDO1 (0.56) ALDH1A1PKMIDO1CALM1LTA4H
SCHEMBL1475480 0.78 IDO1 (0.56) ALDH1A1PKMIDO1CALM1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 — — US disclosed
US-20160213618-A1 COMPOSITIONS OF 5-ETHYL-2--PYRIMIDINE CYMABAY THERAPEUTICS INC (US) 2016-07-28 — — US disclosed
US-9241924-B2 Compositions of 5-ethyl-2-{4-[4-(4-tetrazol-1-yl-phenoxymethyl)-thiazol-2-yl]-piperidin-1-yl}-pyrimidine CYMABAY THERAPEUTICS, INC. (US) 2016-01-26 — — US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 — — US disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 — — US disclosed
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 — — US disclosed
US-20110318418-A1 COMPOSITIONS OF 5-ETHYL-2--PYRIMIDINE METABOLEX, INC. 2011-12-29 — — US disclosed
US-20110313160-A1 PREPARATION OF 5-ETHYL-2--PYRIMIDINE METABOLEX, INC. 2011-12-22 — — US disclosed
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-09-08 — — US disclosed
US-8008377-B2 Modified asphalt binders and asphalt paving compositions FIRESTONE POLYMERS, LLC (US) 2011-08-30 — — US disclosed
US-20110178134-A1 Novel phenyl-substituted imidazolidines, process for preparation thereof, medicaments comprising said compounds and use thereof SANOFI-AVENTIS (FR) 2011-07-21 — — US disclosed
US-20100324179-A1 MODIFIED ASPHALT BINDERS AND ASPHALT PAVING COMPOSITIONS FIRESTONE POLYMERS, LLC 2010-12-23 — — US disclosed
WO-2008156804-A2 MODIFIED ASPHALT BINDERS AND ASPHALT PAVING COMPOSITIONS FIRESTONE POLYMERS LLC (US) 2008-12-24 — — WO 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 (8 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-20110178134-A1 Novel phenyl-substituted imidazolidines, process for preparation thereof, medicaments comprising said compounds and use thereof FABP4, GPR119, PGC ALDH1A1 809/4885PKM 103/4885MIF 132/4885
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ALDH1A1 259/4885PKM 555/4885MIF 1607/4885
US-20160213618-A1 COMPOSITIONS OF 5-ETHYL-2--PYRIMIDINE DPYD, UMPS, TYMS ALDH1A1 1624/4885PKM 1020/4885MIF 4877/4885
US-20110313160-A1 PREPARATION OF 5-ETHYL-2--PYRIMIDINE TYMP, TYMS, DPYD ALDH1A1 1328/4885PKM 392/4885MIF 4757/4885
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ALDH1A1 259/4885PKM 555/4885MIF 1607/4885
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES GPR174, GPR17, PTGFR ALDH1A1 920/4885PKM 1081/4885MIF 2021/4885
US-20110318418-A1 COMPOSITIONS OF 5-ETHYL-2--PYRIMIDINE DPYD, UMPS, TYMS ALDH1A1 1624/4885PKM 1020/4885MIF 4877/4885
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR5, SSTR3 ALDH1A1 2538/4885PKM 3502/4885MIF 2053/4885

“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.