SCHEMBL1417779

SCHEMBL1417779

CCNC(=O)C1CCc2c(cnn2S(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 2/20 0.42
RECQL P46063 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7987996 0.89 ALDH1A1 (0.39) ALDH1A1TSHRRECQLCYP3A4CYP2D6
SCHEMBL7974591 0.87 EPHX2 (0.49) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL1417796 0.78 ALDH1A1 (0.40) ALDH1A1TSHRRECQLCYP3A4CYP2D6
SCHEMBL7987717 0.69 HTR6 (0.46) ALDH1A1RECQLPOLBPKMMEN1
SCHEMBL12670982 0.67 ALDH1A1 (0.39) ALDH1A1TSHRRECQLCYP2C19SMN1; SMN2
SCHEMBL12670985 0.66 KDM2B (0.38) ALDH1A1TSHRRECQLPOLBPKM
SCHEMBL1417900 0.66 ESR2 (0.45) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL15904926 0.66 ACHE (0.42) ALDH1A1POLBGAAPKMKMT2A
SCHEMBL7969583 0.65 NPSR1 (0.36) ALDH1A1SMN1; SMN2POLBGAANPSR1
SCHEMBL1419569 0.65 NPSR1 (0.36) ALDH1A1SMN1; SMN2POLBGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 EP disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 ALDH1A1 359/4885TSHR 690/4885RECQL 4483/4885

“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.