SCHEMBL701271

SCHEMBL701271

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cc(C2CCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.35
KDM1A O60341 1/20 0.34
DHODH Q02127 3/20 0.34
PPARD Q03181 1/20 0.34
ATM Q13315 1/20 0.32
USP5 P45974 1/20 0.31
BDKRB1 P46663 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL700516 0.97 CNR1 (0.37) CNR1KDM1ADHODHPPARDATM
SCHEMBL700779 0.92 DHODH (0.36) DHODHATM
SCHEMBL701377 0.90 DHODH (0.35) DHODH
SCHEMBL700574 0.89 DHODH (0.34) CNR1DHODHBDKRB1LMNA
SCHEMBL702264 0.89 DHODH (0.34) CNR1DHODHBDKRB1LMNA
SCHEMBL702051 0.89 DHODH (0.35) DHODH
SCHEMBL700545 0.89 DHODH (0.35) DHODH
SCHEMBL701466 0.88 DHODH (0.34) DHODHBDKRB1
SCHEMBL701694 0.87 DHODH (0.33) CNR1DHODHBDKRB1
SCHEMBL702439 0.87 BDKRB1 (0.34) DHODHBDKRB1LMNA

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 CNR1 244/4885KDM1A 3142/4885DHODH 195/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CNR1 244/4885KDM1A 3142/4885DHODH 195/4885

“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.