SCHEMBL732081

SCHEMBL732081

COc1cc(F)ccc1Oc1ccc(S(=O)(=O)CN[C@@H]2CCCc3c2cnn3CC(=O)O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
SCN9A Q15858 2/20 0.35
DHODH Q02127 1/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
PTGER3 P43115 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 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
SCHEMBL734416 0.94 SCN9A (0.36) KMT2AMEN1TTRSCN9ADHODH
SCHEMBL734376 0.93 PTGER3 (0.38) KMT2AMEN1TTRSMN1; SMN2PTGER3
SCHEMBL734409 0.93 SCN9A (0.37) KMT2AMEN1TTRSCN9ADHODH
SCHEMBL732252 0.92 KDM4C (0.36) KMT2AMEN1TTRSCN9ADHODH
SCHEMBL733786 0.92 SCN9A (0.39) KMT2ASCN9ADHODHSMN1; SMN2NR2F2
SCHEMBL734491 0.90 FFAR1 (0.35) KMT2AMEN1TTRSCN9ASMN1; SMN2
SCHEMBL734603 0.89 DHODH (0.37) KMT2AMEN1SCN9ADHODHSMN1; SMN2
SCHEMBL731642 0.89 KDM4C (0.35) KMT2ADHODHSMN1; SMN2HPGDPOLB
SCHEMBL733651 0.88 NPBWR1 (0.37) KMT2AMEN1TTRSMN1; SMN2PTGER3
SCHEMBL732529 0.88 FFAR1 (0.37) SCN9ADHODHPTGER3

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 KMT2A 2156/4885MEN1 4375/4885TTR 3197/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KMT2A 2156/4885MEN1 4375/4885TTR 3197/4885

“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.