SCHEMBL702439

SCHEMBL702439

CC(C)c1cc(C(F)(F)F)cc(S(=O)(=O)CN[C@@H]2CCCc3c2cnn3CC(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.34
DHODH Q02127 3/20 0.34
LMNA P02545 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
SOS1 Q07889 1/20 0.32
TSHR P16473 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
SCHEMBL701377 0.90 DHODH (0.35) DHODHCYP11B1CYP11B2
SCHEMBL702051 0.89 DHODH (0.35) DHODHCYP11B1CYP11B2
SCHEMBL700545 0.89 DHODH (0.35) DHODH
SCHEMBL701466 0.89 DHODH (0.34) BDKRB1DHODHCYP11B1CYP11B2
SCHEMBL700306 0.89 BDKRB1 (0.36) BDKRB1DHODHLMNACYP11B1CYP11B2
SCHEMBL700307 0.89 BDKRB1 (0.36) BDKRB1DHODHLMNACYP11B1CYP11B2
SCHEMBL700779 0.88 DHODH (0.36) DHODH
SCHEMBL700516 0.88 CNR1 (0.37) BDKRB1DHODHLMNACYP11B1CYP11B2
SCHEMBL702264 0.88 DHODH (0.34) BDKRB1DHODHLMNATSHRNPSR1
SCHEMBL705373 0.88 DHODH (0.34) BDKRB1DHODHCYP11B1CYP11B2GPR139

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 BDKRB1 51/4885DHODH 195/4885LMNA 3868/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 BDKRB1 51/4885DHODH 195/4885LMNA 3868/4885

“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.