SCHEMBL4339959

SCHEMBL4339959

C#CCC1C(=O)NCCN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 1/20 0.47
BDKRB1 P46663 14/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL4339955 1.00 ALDH1A1 (0.64) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4344810 0.88 ALDH1A1 (0.61) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4344806 0.88 ALDH1A1 (0.61) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4331412 0.87 ALDH1A1 (0.48) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4331409 0.87 ALDH1A1 (0.48) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4342900 0.87 ALDH1A1 (0.52) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL3534971 0.81 ALDH1A1 (0.76) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL3534966 0.81 ALDH1A1 (0.76) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL5982557 0.81 ALDH1A1 (0.74) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL5982477 0.81 ALDH1A1 (0.74) ALDH1A1POLBMAPTKMT2ACYP3A4

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-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 ALDH1A1 251/4885POLB 1815/4885MAPT 2181/4885

“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.