SCHEMBL732256

SCHEMBL732256

Cc1cc(S(=O)(=O)CN[C@@H]2CCCc3c2cnn3CC(=O)O)ccc1Oc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
POLB P06746 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
RAB9A P51151 3/20 0.34
BRD4 O60885 1/20 0.34
NPC1 O15118 2/20 0.34
ATM Q13315 1/20 0.34
NR2F2 P24468 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34

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
SCHEMBL733320 0.91 EPAS1 (0.36) KDM4CKMT2AMEN1TTRPOLB
SCHEMBL734491 0.91 FFAR1 (0.35) KDM4CKMT2AMEN1TTRRAB9A
SCHEMBL734517 0.90 GCK (0.35) KDM4CKMT2AMEN1TTRRAB9A
SCHEMBL732252 0.89 KDM4C (0.36) KDM4CKMT2AMEN1TTRPOLB
SCHEMBL733317 0.86 FFAR1 (0.35) KMT2ARAB9ANPC1ATM
SCHEMBL733662 0.86 SCN9A (0.36) KDM4CKMT2APTGDR2ATMNOD2
SCHEMBL732300 0.86 ATM (0.36) KMT2AMEN1TTRPOLBRAB9A
SCHEMBL733651 0.85 NPBWR1 (0.37) KMT2AMEN1TTRNOD2NOD1
SCHEMBL732836 0.85 GCK (0.37)
SCHEMBL731648 0.85 FFAR1 (0.39) KMT2APTGDR2

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 KDM4C 4231/4885KMT2A 2156/4885MEN1 4375/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KDM4C 4231/4885KMT2A 2156/4885MEN1 4375/4885

“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.