SCHEMBL24635151

SCHEMBL24635151

CC(=O)NNC(=O)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA7 P43166 4/20 0.34
CA9 Q16790 4/20 0.34
CA14 Q9ULX7 4/20 0.34
ALOX15 P16050 2/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL143364 0.89 TSHR (0.50) TSHRHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL19508782 0.82 TSHR (0.43) TSHRHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL11651635 0.82 TSHR (0.43) TSHRHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL19106903 0.82 TSHR (0.43) TSHRHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL19509181 0.80 TSHR (0.42) TSHRHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL1142641 0.80 TSHR (0.42) TSHRHPGDSMN1; SMN2CYP1A2CYP2C9
Water SCHEMBL11650852 0.80 TSHR (0.42) TSHRHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL17280409 0.78 TSHR (0.40) TSHRHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL13063715 0.77 TSHR (0.50) TSHRHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL20807295 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259254-A1 TRANS-CYCLOOCTENE BIOORTHOGONAL AGENTS AND USES IN CANCER AND IMMUNOTHERAPY TAMBO, INC. 2022-08-18 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 (1 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-20220259254-A1 TRANS-CYCLOOCTENE BIOORTHOGONAL AGENTS AND USES IN CANCER AND IMMUNOTHERAPY TIE1, CD74, MERTK TSHR 2193/4885HPGD 981/4885SMN1; SMN2 3216/4885

“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.