SCHEMBL733790

SCHEMBL733790

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cc(Oc2ccc(F)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.34
RORC P51449 1/20 0.34
GCK P35557 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
S1PR2 O95136 1/20 0.34
BDKRB1 P46663 1/20 0.33
SCN9A Q15858 2/20 0.33
AKR1B1 P15121 1/20 0.33
ATM Q13315 1/20 0.32
RAB9A P51151 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
POLB P06746 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
SCHEMBL734220 0.89 TRPA1 (0.37) DHODHRORCPTGDR2BDKRB1ATM
SCHEMBL700779 0.88 DHODH (0.36) DHODHRORCPTGDR2ATMRAB9A
SCHEMBL732300 0.87 ATM (0.36) DHODHATMRAB9ANOD2NOD1
SCHEMBL734517 0.86 GCK (0.35) RORCGCKSCN9AATMRAB9A
SCHEMBL701377 0.85 DHODH (0.35) DHODHGCKRAB9A
SCHEMBL700516 0.84 CNR1 (0.37) DHODHBDKRB1ATM
SCHEMBL702264 0.84 DHODH (0.34) DHODHBDKRB1
SCHEMBL700545 0.84 DHODH (0.35) DHODHRAB9ANOD1POLB
SCHEMBL702051 0.84 DHODH (0.35) DHODHRAB9A
SCHEMBL701466 0.84 DHODH (0.34) DHODHBDKRB1

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 DHODH 278/4885RORC 376/4885GCK 1960/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 DHODH 278/4885RORC 376/4885GCK 1960/4885

“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.