SCHEMBL576872

SCHEMBL576872

CC(C)Cc1ccc(C(C)C(=O)NN2C(O)c3ccccc3C2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.56
PDE4A P27815 1/20 0.56
MAPT P10636 2/20 0.53
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CXCR1 P25024 5/20 0.52
CXCR2 P25025 5/20 0.52
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
LMNA P02545 2/20 0.52
CYP2C9 P11712 2/20 0.52
AKR1C3 P42330 2/20 0.52
ALOX5 P09917 2/20 0.52
ALB P02768 1/20 0.52
ESR1 P03372 1/20 0.52
RARB P10826 1/20 0.52
ADRB3 P13945 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL576871 0.75 CHRM1 (0.57) CHRM1PDE4AMAPTCRHBPCRHR2
SCHEMBL577385 0.75 PTGS2 (0.58) MAPTCXCR1CXCR2PTGS1PTGS2
SCHEMBL577330 0.73 PTGS2 (0.56) MAPTPTGS1PTGS2LMNACYP2C9
SCHEMBL19953817 0.73 CHRM1 (0.75) CHRM1PDE4AMAPTCRHBPCRHR2
SCHEMBL3142734 0.73 CHRM1 (0.75) CHRM1PDE4AMAPTCRHBPCRHR2
SCHEMBL31006096 0.73 CHRM1 (0.75) CHRM1PDE4AMAPTCRHBPCRHR2
Ibuproxam SCHEMBL8722617 0.73 CHRM1 (1.00) CHRM1PDE4AMAPTCRHBPCRHR2
Ibuproxam SCHEMBL10428212 0.73 CHRM1 (1.00) CHRM1PDE4AMAPTCRHBPCRHR2
Ibuproxam SCHEMBL24896 0.73 CHRM1 (1.00) CHRM1PDE4AMAPTCRHBPCRHR2
SCHEMBL3147555 0.73 CHRM1 (0.75) CHRM1PDE4AMAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US claimed
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP claimed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP 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 (1 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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 CHRM1 1629/4885PDE4A 340/4885MAPT 1718/4885

“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.