SCHEMBL731642

SCHEMBL731642

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2ccccc2Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 2/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GRM4 Q14833 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL733261 0.94 DHODH (0.36) KDM4CDHODHPOLBGRM4
SCHEMBL734603 0.94 DHODH (0.37) SMN1; SMN2GAAKMT2ADHODH
SCHEMBL733796 0.94 PREP (0.36) KDM4CSMN1; SMN2KMT2ADHODHHTT
SCHEMBL734416 0.93 SCN9A (0.36) SMN1; SMN2GAAKMT2ADHODHPOLB
SCHEMBL732529 0.93 FFAR1 (0.37) DHODHLMNA
SCHEMBL732615 0.92 DHODH (0.34) GAAKMT2ADHODHALDH1A1HPGD
SCHEMBL733786 0.91 SCN9A (0.39) KDM4CSMN1; SMN2GAAKMT2ADHODH
SCHEMBL734409 0.90 SCN9A (0.37) SMN1; SMN2GAAKMT2ADHODHPOLB
SCHEMBL734491 0.90 FFAR1 (0.35) KDM4CBRD4SMN1; SMN2GAAKMT2A
SCHEMBL732336 0.90 FFAR1 (0.35) KDM4CKMT2ADHODHLMNANPSR1

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 KDM4C 4231/4885BRD4 3639/4885SMN1; SMN2 4457/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KDM4C 4231/4885BRD4 3639/4885SMN1; SMN2 4457/4885

“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.