SCHEMBL733796

SCHEMBL733796

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1ccc(Oc2ccccc2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.36
FFAR1 O14842 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
DHODH Q02127 2/20 0.33
BTK Q06187 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL732336 0.95 FFAR1 (0.35) FFAR1LMNAMEN1KMT2ANPSR1
SCHEMBL731648 0.94 FFAR1 (0.39) FFAR1KMT2AHTTSMN1; SMN2
SCHEMBL731642 0.94 KDM4C (0.35) LMNAKMT2ANPSR1KDM4CDHODH
SCHEMBL734027 0.93 FFAR1 (0.35) FFAR1MEN1KMT2AKDM4CSMN1; SMN2
SCHEMBL733317 0.93 FFAR1 (0.35) FFAR1KMT2ADHODH
SCHEMBL732836 0.93 GCK (0.37) PREPFFAR1
SCHEMBL733651 0.93 NPBWR1 (0.37) FFAR1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL3168499 0.93 FFAR1 (0.35) FFAR1MEN1KMT2AKDM4CSMN1; SMN2
SCHEMBL734491 0.93 FFAR1 (0.35) FFAR1MEN1KMT2AKDM4CSMN1; SMN2
SCHEMBL734646 0.92 OPRK1 (0.39) FFAR1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PREP 1316/4885FFAR1 43/4885LMNA 3455/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PREP 1316/4885FFAR1 43/4885LMNA 3455/4885

“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.