SCHEMBL21050879

SCHEMBL21050879

CC1(C)OC(=O)C(=CNc2ccc(I)c(Cl)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 19/20 0.57
TSHR P16473 1/20 0.57
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 2/20 0.57
HSD17B10 Q99714 3/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 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
SCHEMBL21136847 0.84 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL18450256 0.83 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL11980657 0.82 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL25418982 0.82 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL16431500 0.81 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL30351187 0.81 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL25419709 0.81 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL25417473 0.81 ALDH1A1 (0.65) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL601203 0.79 ALDH1A1 (0.73) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL1906767 0.78 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 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 (2 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 ALDH1A1 26/4885TSHR 2965/4885CYP1A2 106/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 ALDH1A1 26/4885TSHR 2965/4885CYP1A2 106/4885

“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.