SCHEMBL732300

SCHEMBL732300

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
RAB9A P51151 4/20 0.35
NOD1 Q9Y239 3/20 0.35
NOD2 Q9HC29 1/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.35
DHODH Q02127 2/20 0.35
GALR3 O60755 1/20 0.34
TNF P01375 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
NR2F2 P24468 1/20 0.34
MEN1 O00255 1/20 0.34
TTR P02766 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
SCHEMBL733790 0.87 DHODH (0.34) ATMRAB9ANOD1NOD2POLB
SCHEMBL733320 0.86 EPAS1 (0.36) ATMRAB9ANOD1NOD2KMT2A
SCHEMBL732256 0.86 KDM4C (0.39) ATMRAB9ANOD1NOD2KMT2A
SCHEMBL734491 0.86 FFAR1 (0.35) ATMRAB9AKMT2AGAASMN1; SMN2
SCHEMBL734121 0.85 PTGDR2 (0.36) ATMRAB9ANOD1NOD2KMT2A
SCHEMBL734517 0.85 GCK (0.35) ATMRAB9ANOD1NOD2KMT2A
SCHEMBL733662 0.84 SCN9A (0.36) ATMNOD1NOD2KMT2ADHODH
SCHEMBL732339 0.84 GAA (0.34) RAB9ANOD1NOD2KMT2AGAA
SCHEMBL734032 0.84 SCN9A (0.36) RAB9ANOD1NOD2KMT2AGAA
SCHEMBL734220 0.81 TRPA1 (0.37) ATMRAB9ADHODH

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
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100016369-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-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 ATM 3156/4885RAB9A 2575/4885NOD1 2768/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ATM 3156/4885RAB9A 2575/4885NOD1 2768/4885

“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.