SCHEMBL700323

SCHEMBL700323

CS(=O)(=O)c1cc(S(C)(=O)=O)cc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3CC(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
DHODH Q02127 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TNF P01375 2/20 0.34
NOD1 Q9Y239 2/20 0.34

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
SCHEMBL701569 0.93 DHODH (0.36) ALDH1A1L3MBTL1DHODH
SCHEMBL701568 0.93 DHODH (0.36) ALDH1A1L3MBTL1DHODH
SCHEMBL704658 0.92 ALDH1A1 (0.40) CYP1A2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL702893 0.90 KMT2A (0.45) CYP1A2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL700692 0.88 F10 (0.37) CYP1A2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL701857 0.88 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL751192 0.86 CYP1A2 (0.48) CYP1A2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL732687 0.86 CYP1A2 (0.39) CYP1A2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL732685 0.86 CYP1A2 (0.39) CYP1A2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL703361 0.85 DHODH (0.38) CYP1A2ALDH1A1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
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
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 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

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

“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.