SCHEMBL19521968

SCHEMBL19521968

CC(C)(C)CCc1ccc(C(=O)I)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
SLC13A5 Q86YT5 2/20 0.39
S1PR1 P21453 1/20 0.39
PLK1 P53350 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ESRRB O95718 1/20 0.38
ESRRG P62508 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6396317 0.84 ALDH1A1 (0.55) THRBKDM4EALDH1A1POLBGAA
SCHEMBL9969427 0.84 KMT2A (0.57) S1PR1HSD17B10
SCHEMBL18701020 0.82 MLYCD (0.42) THRBTHRASLC13A5S1PR1PLK1
SCHEMBL18531120 0.80 CYP4F2 (0.44)
SCHEMBL13139803 0.79 MMP12 (0.53) HSD17B10
SCHEMBL19002551 0.79 CYP4A11 (0.62) KDM4EALDH1A1GAAHSD17B10
SCHEMBL22040686 0.79 HDAC1 (0.61)
SCHEMBL5065524 0.79 GSK3B (0.53) THRBTHRA
SCHEMBL20906861 0.79 THRA (0.61) THRBTHRAPLK1ALDH1A1ESRRG
SCHEMBL15100965 0.77 PLK1 (0.62) THRBTHRAPLK1KDM4EALDH1A1

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-11173157-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators Apros Therapeutics, Inc. (US) 2021-11-16 US disclosed
US-20210000826-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS AS TLR7 MODULATORS Apros Therapeutics, Inc. 2021-01-07 US disclosed
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-20180155298-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS Apros Therapeutics, Inc. 2018-06-07 US disclosed
US-9804168-B2 Biomarker discovery in complex biological fluid using bead or particle based libraries and diagnostic kits and therapeutics OPKO PHARMACEUTICALS, LLC (US) 2017-10-31 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 (5 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-20210000826-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS AS TLR7 MODULATORS TLR7, TLR9, STING1 THRB 3404/4885THRA 3566/4885SLC13A5 3786/4885
US-20180155298-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS MAVS, TLR7, STING1 THRB 3320/4885THRA 3611/4885SLC13A5 3531/4885
US-20190314372-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS MAVS, TLR7, STING1 THRB 3320/4885THRA 3611/4885SLC13A5 3531/4885
US-11173157-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators TLR7, TLR9, MAVS THRB 3059/4885THRA 3626/4885SLC13A5 4120/4885
US-10786502-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators TLR7, TLR9, MAVS THRB 3059/4885THRA 3626/4885SLC13A5 4120/4885

“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.