SCHEMBL3915488

SCHEMBL3915488

CC(C)(Cc1cccc(CC(=O)NCc2cccc(F)c2)c1)NCC(O)c1cc(O)cc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.62
SRC P12931 1/20 0.46
ADRB1 P08588 2/20 0.44
CHRM3 P20309 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL3921775 0.93 ADRB2 (0.65) ADRB2ADRB1CHRM3RAB9ALMNA
SCHEMBL6507743 0.93 ADRB2 (0.65) ADRB2SRCADRB1CHRM3MAPK1
SCHEMBL13840728 0.90 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL3917030 0.90 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL13840800 0.90 ADRB2 (0.63) ADRB2ADRB1CHRM3
SCHEMBL3912483 0.90 ADRB2 (0.63) ADRB2ADRB1CHRM3
SCHEMBL3916980 0.89 ADRB2 (0.57) ADRB2ADRB1CHRM3
SCHEMBL3912563 0.88 ADRB2 (0.61) ADRB2ADRB1CHRM3LMNACYP3A4
SCHEMBL13840808 0.88 ADRB2 (0.61) ADRB2ADRB1CHRM3LMNACYP3A4
SCHEMBL3917076 0.88 ADRB2 (0.66) ADRB2ADRB1CHRM3KMT2A

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
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 EP claimed
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 EP disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
US-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 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 (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-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 ADRB2 639/4885SRC 3708/4885ADRB1 569/4885

“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.