SCHEMBL701348

SCHEMBL701348

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.40
ATM Q13315 1/20 0.35
TNF P01375 1/20 0.34
NOD1 Q9Y239 1/20 0.34
RAB9A P51151 1/20 0.34
AKR1B1 P15121 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 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
SCHEMBL701621 0.90 L3MBTL1 (0.35) DHODHRAB9A
SCHEMBL702824 0.83 DHODH (0.34) DHODHATMTNFNOD1RAB9A
SCHEMBL703977 0.80 CRHR1 (0.39) DHODHRAB9A
SCHEMBL702264 0.79 DHODH (0.34) DHODHSMN1; SMN2
SCHEMBL734032 0.79 SCN9A (0.36) DHODHNOD1RAB9AGAAKMT2A
SCHEMBL701350 0.79 PTGDR2 (0.34) DHODHAKR1B1
SCHEMBL701349 0.79 PTGDR2 (0.34) DHODHAKR1B1
SCHEMBL732339 0.78 GAA (0.34) DHODHTNFNOD1RAB9AGAA
SCHEMBL702903 0.78 NPC1 (0.38) TNFNOD1RAB9AKMT2APOLB
SCHEMBL732300 0.77 ATM (0.36) DHODHATMTNFNOD1RAB9A

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 8 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-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
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

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 DHODH 195/4885ATM 3428/4885TNF 2955/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 DHODH 195/4885ATM 3428/4885TNF 2955/4885

“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.