SCHEMBL733830

SCHEMBL733830

CCOC(=O)Cn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.36
ABL1 P00519 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NLRP3 Q96P20 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK14 Q16539 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL733831 1.00 KDM4C (0.36) KDM4CABL1SMN1; SMN2TSHRMAPK1
SCHEMBL733014 0.92 KDM4C (0.34) KDM4CALDH1A1MEN1KMT2A
SCHEMBL733015 0.92 KDM4C (0.34) KDM4CALDH1A1MEN1KMT2A
SCHEMBL732519 0.92 HTT (0.36) SMN1; SMN2HTTMAPTNPSR1KMT2A
SCHEMBL732518 0.92 HTT (0.36) SMN1; SMN2HTTMAPTNPSR1KMT2A
SCHEMBL732250 0.91 KDM4C (0.39) KDM4CABL1HTR2AHTR2C
SCHEMBL732249 0.91 KDM4C (0.39) KDM4CABL1HTR2AHTR2C
SCHEMBL734613 0.90 HTT (0.34) SMN1; SMN2TSHRMAPK1CYP2C9CYP2C19
SCHEMBL734614 0.90 HTT (0.34) SMN1; SMN2TSHRMAPK1CYP2C9CYP2C19
SCHEMBL734080 0.87 POLB (0.37) SMN1; SMN2MAPK1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 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-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 KDM4C 4231/4885ABL1 1588/4885SMN1; SMN2 4457/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KDM4C 4231/4885ABL1 1588/4885SMN1; SMN2 4457/4885

“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.