SCHEMBL700331

SCHEMBL700331

COC(=O)CCn1ncc2c1CCC[C@H]2NS(=O)(=O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
DHODH Q02127 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
CETP P11597 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
RAB9A P51151 2/20 0.33
GALR3 O60755 1/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
NPC1 O15118 1/20 0.33
BTK Q06187 2/20 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
SCHEMBL700332 1.00 ATM (0.36) ATMDHODHKMT2AMEN1TTR
SCHEMBL705344 0.95 STS (0.36) DHODHKMT2AMEN1CYP11B1CYP11B2
SCHEMBL705343 0.95 STS (0.36) DHODHKMT2AMEN1CYP11B1CYP11B2
SCHEMBL700345 0.86 ALDH1A1 (0.41) ATMDHODHKMT2AMEN1TTR
SCHEMBL704294 0.86 ALDH1A1 (0.41) ATMDHODHKMT2AMEN1TTR
SCHEMBL703392 0.85 ALDH1A1 (0.38) DHODHKMT2AMEN1CYP11B1CYP11B2
SCHEMBL703391 0.85 ALDH1A1 (0.38) DHODHKMT2AMEN1CYP11B1CYP11B2
SCHEMBL732963 0.85 CETP (0.35) ATMDHODHKMT2AMEN1TTR
SCHEMBL732411 0.83 ADAMTS7 (0.37) DHODHBTK
SCHEMBL732409 0.83 ADAMTS7 (0.37) DHODHBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ATM 3428/4885DHODH 195/4885KMT2A 1942/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ATM 3428/4885DHODH 195/4885KMT2A 1942/4885

“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.