SCHEMBL700951

SCHEMBL700951

CCC[C@@H](OS(=O)(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.32
GRIK1 P39086 1/20 0.32

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
SCHEMBL701747 1.00 HDAC1 (0.39) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL15619096 1.00 HDAC1 (0.39) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL2326465 0.89 CA2 (0.40) PPARGMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL8911416 0.89 CA2 (0.40) PPARGMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL5693888 0.86 MAPT (0.47) MAPTCA2
SCHEMBL2797629 0.85 SMN1; SMN2 (0.35)
SCHEMBL3069494 0.85 SMN1; SMN2 (0.35)
SCHEMBL2327079 0.85 SMN1; SMN2 (0.35)
SCHEMBL10088095 0.84 CA1 (0.40) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL14003053 0.84 HTT (0.36) HDAC1HDAC2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338621-B2 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB S.A. (BE) 2012-12-25 US disclosed
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 US disclosed
EP-1806339-B1 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB PHARMA SA (BE) 2011-08-17 EP disclosed
US-20110124695-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2011-05-26 US disclosed
WO-2011061271-A1 SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed
US-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES UCB S.A. (BE) 2008-01-10 US disclosed
EP-1806339-A1 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB, S.A. (BE) 2007-07-11 EP disclosed
US-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 US disclosed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 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 (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-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES CYP2F1, CYP3A5, SULT1E1 HDAC1 1683/4885HDAC2 679/4885CHRM1 854/4885
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 HDAC1 1587/4885HDAC2 997/4885CHRM1 109/4885
US-20110124695-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors MME, REN, AGTR1 HDAC1 77/4885HDAC2 261/4885CHRM1 10/4885

“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.