SCHEMBL733713

SCHEMBL733713

O=C(O)Cn1ncc2c1CCC[C@H]2NCS(=O)(=O)c1cnc(Oc2cc(Cl)ccc2Cl)c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
GPBAR1 Q8TDU6 7/20 0.32
DHODH Q02127 1/20 0.31
RHEB Q15382 1/20 0.31
KMO O15229 1/20 0.31
CCR2 P41597 2/20 0.30
USP5 P45974 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL734194 0.94 FFAR1 (0.33) SCN9ADHODHKMO
SCHEMBL732625 0.92 KDM4C (0.34) DHODHCCR2CYP3A4CYP2C9CYP2C19
SCHEMBL733248 0.92 SCN9A (0.35) SCN9ADHODH
SCHEMBL732275 0.91 LTA4H (0.33) SCN9ADHODHKMOCCR2USP5
SCHEMBL733793 0.89 FFAR1 (0.34) SCN9ADHODHCCR2
SCHEMBL733921 0.89 SCN9A (0.32) SCN9ADHODH
SCHEMBL733186 0.89 SCN9A (0.36) SCN9ADHODH
SCHEMBL732984 0.87 SCN9A (0.33) SCN9ADHODH
SCHEMBL733855 0.86 NOD2 (0.31)
SCHEMBL731686 0.86 RAB9A (0.37) SCN9ADHODH

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 SCN9A 2017/4885GPBAR1 121/4885DHODH 278/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885GPBAR1 121/4885DHODH 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.