SCHEMBL734494

SCHEMBL734494

O=C(O)CCn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.37
SFRP1 Q8N474 1/20 0.36
DHODH Q02127 3/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
ATM Q13315 2/20 0.34
TBXA2R P21731 1/20 0.34
RAB9A P51151 2/20 0.34
BDKRB1 P46663 2/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
GALR3 O60755 1/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 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
SCHEMBL732763 0.93 SFRP1 (0.35) RORCSFRP1DHODHPTGDR2BDKRB1
SCHEMBL732133 0.91 HCRTR1 (0.37) SFRP1DHODHPTGDR2TNFNOD1
SCHEMBL700438 0.88 DHODH (0.33) RORCDHODHRAB9ABDKRB1
SCHEMBL732141 0.85 DHODH (0.35) SFRP1DHODHPTGDR2BDKRB1TNF
SCHEMBL732140 0.85 DHODH (0.35) SFRP1DHODHPTGDR2BDKRB1TNF
SCHEMBL734220 0.84 TRPA1 (0.37) RORCDHODHPTGDR2ATMRAB9A
SCHEMBL734495 0.83 PTGDR2 (0.41) RORCPTGDR2TBXA2R
SCHEMBL734496 0.83 PTGDR2 (0.41) RORCPTGDR2TBXA2R
SCHEMBL700779 0.83 DHODH (0.36) RORCDHODHPTGDR2ATMRAB9A
SCHEMBL733790 0.82 DHODH (0.34) RORCDHODHPTGDR2ATMRAB9A

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 RORC 376/4885SFRP1 2965/4885DHODH 278/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 RORC 376/4885SFRP1 2965/4885DHODH 278/4885

“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.