SCHEMBL12767577

SCHEMBL12767577

CC(=O)OCC1OC(O)C(N2C(=O)c3ccccc3C2=O)[C@@H](C)[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ELANE P08246 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ P4HB P07237 1/20 0.34
▸ PDIA4 P13667 1/20 0.34
▸ PDIA3 P30101 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PRKCA P17252 1/20 0.33
▸ AKT1 P31749 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
SCHEMBL12767576 0.87 TSHR (0.39) TSHRL3MBTL1ELANELMNACYP3A4
SCHEMBL2741355 0.86 LMNA (0.39) TSHRL3MBTL1ELANELMNACYP3A4
SCHEMBL2741349 0.86 LMNA (0.46) TSHRLMNACYP3A4ALDH1A1MAPT
SCHEMBL15061506 0.85 TSHR (0.54) TSHRLMNATHRBSMN1; SMN2HIF1A
SCHEMBL4178413 0.85 TSHR (0.54) TSHRLMNATHRBSMN1; SMN2HIF1A
SCHEMBL4178428 0.85 TSHR (0.54) TSHRLMNATHRBSMN1; SMN2HIF1A
SCHEMBL1527148 0.85 TSHR (0.54) TSHRLMNATHRBSMN1; SMN2HIF1A
SCHEMBL16328963 0.85 TSHR (0.54) TSHRLMNATHRBSMN1; SMN2HIF1A
SCHEMBL15338605 0.81 LMNA (0.48) TSHRLMNACYP2D6THRBSMN1; SMN2
SCHEMBL6553250 0.80 TNF (0.42) TSHRLMNAALDH1A1CYP2D6PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279248-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE, LLC 2016-09-29 — — US disclosed
US-9364554-B2 Extracellular targeted drug conjugates CENTROSE LLC (US) 2016-06-14 — — US disclosed
US-8470980-B2 Extracellular targeted drug conjugates CENTROSE, LLC (US) 2013-06-25 — — US disclosed
US-20110064752-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE, LLC (US) 2011-03-17 — — 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 (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-20110064752-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES FCGR2A, ENGASE, FCER2 TSHR 929/4885L3MBTL1 3401/4885ELANE 75/4885
US-20160279248-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES FCGR2A, ENGASE, FCER2 TSHR 929/4885L3MBTL1 3401/4885ELANE 75/4885

“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.

Send feedback