SCHEMBL734416

SCHEMBL734416

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2ccc(F)cc2Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35
RAB9A P51151 5/20 0.34
MEN1 O00255 1/20 0.34
TTR P02766 1/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
NOD1 Q9Y239 2/20 0.34
GALR3 O60755 1/20 0.34
TNF P01375 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
DHODH Q02127 1/20 0.34
NR2F2 P24468 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL733786 0.96 SCN9A (0.39) SCN9AKMT2AGAASMN1; SMN2ATM
SCHEMBL734409 0.95 SCN9A (0.37) SCN9AKMT2AGAASMN1; SMN2ATM
SCHEMBL732252 0.95 KDM4C (0.36) SCN9AKMT2AGAASMN1; SMN2ATM
SCHEMBL732081 0.94 KMT2A (0.38) SCN9AKMT2AGAASMN1; SMN2RAB9A
SCHEMBL734491 0.94 FFAR1 (0.35) SCN9AKMT2AGAASMN1; SMN2ATM
SCHEMBL734603 0.93 DHODH (0.37) SCN9AKMT2AGAASMN1; SMN2MEN1
SCHEMBL731642 0.93 KDM4C (0.35) KMT2AGAASMN1; SMN2POLBDHODH
SCHEMBL732529 0.92 FFAR1 (0.37) SCN9ADHODH
SCHEMBL734330 0.92 PTGER3 (0.35) SCN9AATMNOD1TNFDHODH
SCHEMBL733261 0.90 DHODH (0.36) RAB9APOLBNPC1NOD1TNF

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 SCN9A 2017/4885KMT2A 2156/4885GAA 1669/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885KMT2A 2156/4885GAA 1669/4885

“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.