SCHEMBL732250

SCHEMBL732250

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.39
ABL1 P00519 1/20 0.35
HIF1A Q16665 1/20 0.34
NPBWR1 P48145 1/20 0.32
FFAR1 O14842 2/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
PREP P48147 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
PPARG P37231 1/20 0.31
CCR8 P51685 1/20 0.31
MGLL Q99685 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
SCHEMBL732249 1.00 KDM4C (0.39) KDM4CABL1HIF1ANPBWR1FFAR1
SCHEMBL734512 0.92 HIF1A (0.36) KDM4CHIF1AFFAR1MGLL
SCHEMBL734511 0.92 HIF1A (0.36) KDM4CHIF1AFFAR1MGLL
SCHEMBL732241 0.92 FFAR1 (0.40) HIF1AFFAR1PPARG
SCHEMBL732242 0.92 FFAR1 (0.40) HIF1AFFAR1PPARG
SCHEMBL733831 0.91 KDM4C (0.36) KDM4CABL1HTR2AHTR2C
SCHEMBL733830 0.91 KDM4C (0.36) KDM4CABL1HTR2AHTR2C
SCHEMBL733669 0.90 LTA4H (0.35) NPBWR1FFAR1
SCHEMBL733670 0.90 LTA4H (0.35) NPBWR1FFAR1
SCHEMBL731644 0.86 F10 (0.36) KDM4C

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 4231/4885ABL1 1588/4885HIF1A 2202/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KDM4C 4231/4885ABL1 1588/4885HIF1A 2202/4885

“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.