SCHEMBL702893

SCHEMBL702893

Cc1cc(C)cc(S(=O)(=O)NC2CCCc3c2cnn3CC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
GFER P55789 1/20 0.41
MEN1 O00255 4/20 0.40
DHODH Q02127 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL701322 0.91 DHODH (0.39) KMT2AGFERMEN1DHODHNPC1
SCHEMBL733801 0.91 KMT2A (0.41) KMT2AGFERMEN1DHODHNPC1
SCHEMBL700323 0.90 CYP1A2 (0.37) KMT2AMEN1DHODHNPC1RAB9A
SCHEMBL701631 0.88 ALDH1A1 (0.46) KMT2AGFERMEN1DHODHNPC1
SCHEMBL700692 0.88 F10 (0.37) KMT2AMEN1DHODHNPC1RAB9A
SCHEMBL751192 0.86 CYP1A2 (0.48) KMT2AMEN1DHODHALDH1A1TP53
SCHEMBL703361 0.85 DHODH (0.38) KMT2AMEN1DHODHALDH1A1CYP1A2
SCHEMBL703362 0.85 DHODH (0.38) KMT2AMEN1DHODHALDH1A1CYP1A2
SCHEMBL701283 0.85 ALDH1A1 (0.44) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL702311 0.85 ALDH1A1 (0.44) KMT2AMEN1NPC1RAB9AALDH1A1

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 24 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-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
JP-2011528002-A 2011-11-10 JP claimed
CN-102099342-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN claimed
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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
CN-102099342-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN disclosed
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP 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

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 KMT2A 1942/4885GFER 906/4885MEN1 3869/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KMT2A 1942/4885GFER 906/4885MEN1 3869/4885

“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.