SCHEMBL13914366

SCHEMBL13914366

COC(C)(C)CCC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL1908110 0.89 ALDH1A1 (0.56) ALDH1A1TSHRTDP1
SCHEMBL9925627 0.84 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL12400709 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL9465879 0.78 ALDH1A1 (0.45) ALDH1A1TSHRTDP1
SCHEMBL12301926 0.77 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL27826092 0.76
SCHEMBL16569792 0.76
SCHEMBL14814720 0.75 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL19018492 0.75 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL761674 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2020-05-21 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 US disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
US-20130210704-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2013-08-15 US disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 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 (6 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-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI POLR2E, POLR2H, POLI ALDH1A1 1965/4885TSHR 4023/4885TDP1 2894/4885
US-20130210704-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 ALDH1A1 2376/4885TSHR 4131/4885TDP1 1618/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 ALDH1A1 386/4885TSHR 1651/4885TDP1 4479/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 ALDH1A1 2376/4885TSHR 4131/4885TDP1 1618/4885
US-11078170-B2 Cyclic sulfamide compounds and methods of using same HCCS, HAVCR2, SLC10A1 ALDH1A1 4068/4885TSHR 2587/4885TDP1 4090/4885
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 ALDH1A1 4068/4885TSHR 2587/4885TDP1 4090/4885

“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.