SCHEMBL7016011

SCHEMBL7016011

CCCOc1ccc(SC[C@H](CC)CO)cc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.47
VDR P11473 5/20 0.42
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARA Q07869 1/20 0.36
HTR1A P08908 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL10151673 0.81 PPARD (0.53) PPARDPPARAESR1
SCHEMBL7019800 0.80 PPARD (0.42) PPARDVDRPPARA
SCHEMBL7017035 0.80 PPARD (0.67) PPARDPPARA
SCHEMBL7017043 0.78 PPARD (0.46) PPARDVDRNPC1NFKB1RAB9A
SCHEMBL7016955 0.77 PPARD (0.75) PPARDPPARA
SCHEMBL7016084 0.77 PPARD (0.75) PPARDPPARA
SCHEMBL7016342 0.74 PPARD (0.65) PPARDPPARA
SCHEMBL7019964 0.73 PPARD (0.72) PPARDPPARA
SCHEMBL7016015 0.71 PPARD (0.66) PPARDPPARA
SCHEMBL14354996 0.70 PPARD (0.74) PPARDPPARA

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-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA NV (DE) 2017-10-26 US disclosed
US-9724322-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-08 US disclosed
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2016-07-14 US disclosed
US-8518997-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-27 US disclosed
US-20120122988-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-05-17 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-20120122988-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885VDR 72/4885NPC1 244/4885
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885VDR 72/4885NPC1 244/4885
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885VDR 72/4885NPC1 244/4885
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885VDR 72/4885NPC1 244/4885

“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.