SCHEMBL17831990

SCHEMBL17831990

CCC[C@@H](O)C[C@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
USP2 O75604 3/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 6/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.41
FDPS P14324 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL15044037 1.00 TSHR (0.43) TSHRUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL12653403 0.97 USP2 (0.42) TSHRUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL3096192 0.88 TSHR (0.38) TSHRUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL16153750 0.88 TSHR (0.38) TSHRUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL3096199 0.88 TSHR (0.38) TSHRUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL28576046 0.88 TSHR (0.38) TSHRUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL2381476 0.85
SCHEMBL29157267 0.85 THRB (0.56) TSHRUSP2CYP3A4LMNAALDH1A1
SCHEMBL2382234 0.85
SCHEMBL62155 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296630-A1 METHODS FOR TREATING CANCER USING COMBINATION THERAPIES ENDOCYTE INC (US) 2016-10-13 US disclosed
US-20160168183-A1 Conjugates Containing Hydrophilic Spacer Linkers ENDOCYTE INC (US) 2016-06-16 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 (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-20160296630-A1 METHODS FOR TREATING CANCER USING COMBINATION THERAPIES SLC7A11, CXCR2, TPX2 TSHR 2466/4885USP2 583/4885CYP3A4 3409/4885
US-20160168183-A1 Conjugates Containing Hydrophilic Spacer Linkers CD44, HAVCR2, HCAR1 TSHR 566/4885USP2 2081/4885CYP3A4 4431/4885

“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.