SCHEMBL702894

SCHEMBL702894

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cnc(OC2CCCC2)c(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
F10 P00742 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
CA2 P00918 1/20 0.31
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
ATXN2 Q99700 2/20 0.30
DHODH Q02127 3/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SCN9A Q15858 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
SCHEMBL701286 0.90 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL700252 0.89 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL752764 0.86 CYP1A2 (0.36) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL703389 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP1A2KMT2AF10
SCHEMBL733194 0.85 MMP2 (0.40) F10
SCHEMBL732630 0.85 PTGDR2 (0.36) KMT2ADHODHRAB9A
SCHEMBL733183 0.85 MMP2 (0.40) F10
SCHEMBL731651 0.85 DHODH (0.34) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL732156 0.84 PTGDR2 (0.36) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL732677 0.84 NOD1 (0.35) KMT2ADHODH

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 21 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 claimed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US claimed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
CN-102099342-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
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
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP disclosed
CN-102099342-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN 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

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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885L3MBTL1 4710/4885CYP1A2 399/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885L3MBTL1 4710/4885CYP1A2 399/4885

“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.