SCHEMBL3369822

SCHEMBL3369822

CCOCCCOC(=S)SC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.34
CYP2D6 P10635 1/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL9873309 0.87 ALDH1A1 (0.46) ALDH1A1TSHRCYP2D6CA12CA1
SCHEMBL11179708 0.80
SCHEMBL822966 0.80 CA12 (0.46) ALDH1A1TSHRCA12CA1CA2
SCHEMBL13325418 0.80 CA12 (0.46) ALDH1A1TSHRCA12CA1CA2
SCHEMBL30355067 0.78 CA12 (0.56) ALDH1A1TSHRCA12CA1CA2
SCHEMBL17779968 0.78 TSHR (0.45) ALDH1A1TSHRCA12CA1CA2
SCHEMBL17230458 0.77 CA12 (0.55) ALDH1A1TSHRCA12CA1CA2
SCHEMBL11654477 0.77 CA12 (0.55) ALDH1A1TSHRCA12CA1CA2
SCHEMBL15906464 0.77 CA12 (0.55) ALDH1A1TSHRCA12CA1CA2
SCHEMBL25530954 0.77 ALDH1A1 (0.30) ALDH1A1CYP2D6

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-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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 (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-20080194549-A1 Organic Compounds REN, ACE, OTC ALDH1A1 224/4885TSHR 2274/4885CYP2D6 422/4885

“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.