SCHEMBL21189480

SCHEMBL21189480

O=C(S)OCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ CETP P11597 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ELANE P08246 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ NR4A3 Q92570 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL3804139 0.87 TSHR (0.59) TSHRCETPALDH1A1LMNAMAPK1
SCHEMBL3804138 0.87 TSHR (0.55) TSHRCETPALDH1A1LMNAMAPK1
SCHEMBL3072372 0.84 ALDH1A1 (0.61) TSHRCETPALDH1A1LMNAMAPK1
SCHEMBL19509036 0.84 ALDH1A1 (0.61) TSHRCETPALDH1A1LMNAMAPK1
SCHEMBL31404912 0.83 KMT2A (0.62) TSHRALDH1A1LMNAMAPK1SLC6A2
SCHEMBL5379773 0.82 TSHR (0.61) TSHRCETPALDH1A1ELANE
SCHEMBL13347322 0.81 TSHR (0.49) TSHRCETPALDH1A1LMNAMAPK1
SCHEMBL206609 0.80 TSHR (0.68) TSHRCETPALDH1A1ELANENPC1
SCHEMBL21189481 0.80 ALDH1A1 (0.49) TSHRCETPALDH1A1LMNAMAPK1
SCHEMBL16368191 0.80 CETP (0.48) TSHRCETPALDH1A1LMNAL3MBTL1

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-20190224220-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use ABBVIE INC. (US) 2019-07-25 — — 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-20190224220-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use COMT, SNCA, PARK7 TSHR 1816/4885CETP 3250/4885ALDH1A1 694/4885

“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.

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