SCHEMBL17494761

SCHEMBL17494761

CC(C(=O)O)=C(OS(=O)(=O)c1ccc(C)cc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ENPP3 O14638 2/20 0.41
▸ ENPP1 P22413 2/20 0.41
▸ ENPP2 Q13822 2/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ TAS2R14 Q9NYV8 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL17494760 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP2C9ENPP3
SCHEMBL17504885 0.94 TSHR (0.46) ALDH1A1MEN1KMT2ACYP2C9ENPP3
SCHEMBL15972573 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP2C9ENPP3
SCHEMBL19411360 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP2C9ENPP3
SCHEMBL15972575 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP2C9ENPP3
SCHEMBL19179863 0.81 ENPP3 (0.46) ALDH1A1CYP2C9ENPP3ENPP1ENPP2
SCHEMBL11248469 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP2C9ENPP3
SCHEMBL7319789 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AENPP3ENPP1
Acetic Acid SCHEMBL10733614 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASTAT3POLB
SCHEMBL5510733 0.73 ENPP3 (0.51) ALDH1A1MEN1KMT2AENPP3ENPP1

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
EP-3177287-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2022-02-23 — — EP disclosed
US-10968193-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 — — US disclosed
US-20170217918-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 — — US disclosed
EP-3177287-A1 ANTIDIABETIC BICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-06-14 — — EP disclosed
WO-2016022742-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 — — 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-10968193-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R ALDH1A1 2872/4885MEN1 4443/4885KMT2A 3653/4885
US-20170217918-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GLP1R, GPR65 ALDH1A1 2819/4885MEN1 4523/4885KMT2A 3585/4885

“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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