SCHEMBL732625

SCHEMBL732625

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cnc(Oc2ccccc2Cl)c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.34
DHODH Q02127 6/20 0.33
KMT2A Q03164 4/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCR2 P41597 3/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCR4 P51679 1/20 0.32
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 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
SCHEMBL733186 0.92 SCN9A (0.36) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL734194 0.92 FFAR1 (0.33) DHODHSMN1; SMN2
SCHEMBL733713 0.92 SCN9A (0.34) DHODHCCR2CYP3A4CYP2C9CYP2C19
SCHEMBL732245 0.90 KDM4C (0.35) KDM4CDHODHKMT2AGAASMN1; SMN2
SCHEMBL732243 0.90 KDM4C (0.35) KDM4CDHODHKMT2AGAASMN1; SMN2
SCHEMBL733793 0.88 FFAR1 (0.34) DHODHKMT2ACCR2
SCHEMBL732275 0.88 LTA4H (0.33) DHODHCCR2NOD2NOD1
SCHEMBL733921 0.88 SCN9A (0.32) DHODH
SCHEMBL733248 0.88 SCN9A (0.35) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL731686 0.88 RAB9A (0.37) KDM4CDHODHKMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US claimed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 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 KDM4C 4231/4885DHODH 278/4885KMT2A 2156/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KDM4C 4231/4885DHODH 278/4885KMT2A 2156/4885

“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.