SCHEMBL3010604

SCHEMBL3010604

CC(NC(=O)O)[C@H](O)COc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
FAAH O00519 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL3010600 1.00 SMN1; SMN2 (0.41) SMN1; SMN2AAK1FAAHADRB2ADRB1
SCHEMBL851227 0.83 ATM (0.43)
SCHEMBL13197618 0.77 MEN1 (0.44) SMN1; SMN2
SCHEMBL13197626 0.77 MEN1 (0.44) SMN1; SMN2
SCHEMBL851083 0.77 CARM1 (0.41) AAK1
SCHEMBL837058 0.77 SMN1; SMN2 (0.47) SMN1; SMN2FAAH
Hydrochloric Acid SCHEMBL835699 0.76 ALDH1A1 (0.41) AAK1
SCHEMBL13320913 0.75 MAPT (0.46) FAAH
SCHEMBL8117484 0.73 RAB9A (0.44) SMN1; SMN2AAK1FAAH
SCHEMBL8121605 0.73 RAB9A (0.44) SMN1; SMN2AAK1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO 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 (3 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 SMN1; SMN2 4640/4885AAK1 4162/4885FAAH 3241/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SMN1; SMN2 4640/4885AAK1 4162/4885FAAH 3241/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SMN1; SMN2 4640/4885AAK1 4162/4885FAAH 3241/4885

“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.