SCHEMBL701628

SCHEMBL701628

CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HSD11B1 P28845 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACLY P53396 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
LOX P28300 2/20 0.34
S1PR1 P21453 1/20 0.34
HSD17B2 P37059 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL11346857 0.95 ALDH1A1 (0.40) GABRA1GABRB2ALDH1A1HSD11B1POLB
SCHEMBL13268747 0.86 HSD11B1 (0.35) GABRA1GABRB2ALDH1A1HSD11B1POLB
SCHEMBL4728302 0.82 RXRA (0.46) ALDH1A1HSD17B10TDP1RXRARXRB
SCHEMBL27984658 0.80 LOX (0.46) GABRA1GABRB2ALDH1A1HSD11B1POLB
SCHEMBL23113418 0.80 HTT (0.42) ALDH1A1HSD11B1POLBMEN1KMT2A
SCHEMBL2217011 0.79 ALDH1A1 (0.46) ALDH1A1HSD11B1MEN1KMT2AHSD17B10
SCHEMBL10180138 0.78 LOX (0.49) GABRA1GABRB2ALDH1A1POLBMEN1
SCHEMBL6128345 0.76 GABRA1 (0.48) GABRA1GABRB2ALDH1A1POLBMEN1
SCHEMBL66108 0.76 ALDH1A1 (0.61) ALDH1A1HSD11B1POLBMEN1KMT2A
SCHEMBL67742 0.76 CES2 (0.48) ALDH1A1POLBKMT2ANPSR1HSD17B10

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099342-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
WO-2010018112-A2 MONOARYL AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 WO disclosed
WO-2010018112-A2 MONOARYL AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 WO disclosed
US-20100041760-A1 MONOARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 US disclosed
US-20100041760-A1 MONOARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 US disclosed
US-20100041760-A1 MONOARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
WO-2010006939-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 (3 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-20100041760-A1 MONOARYL AMINOTETRALINES HRH1, HRH4, HRH2 GABRA1 950/4885GABRB2 1031/4885ALDH1A1 703/4885
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 GABRA1 351/4885GABRB2 581/4885ALDH1A1 317/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 GABRA1 351/4885GABRB2 581/4885ALDH1A1 317/4885

“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.