SCHEMBL16830243

SCHEMBL16830243

C=CCNC(=O)[C@@H]1CCC(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.35
ALOX5 P09917 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 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
SCHEMBL16830244 1.00 KMT2A (0.51) KMT2ANPSR1KDM4ELMNAALDH1A1
SCHEMBL12108376 0.78 CYP2C9 (0.41) CA1CA9
SCHEMBL12108375 0.78 CYP2C9 (0.41) CA1CA9
SCHEMBL1300484 0.77 EGLN1 (0.41) KDM4EALDH1A1HTTCA1CA9
SCHEMBL1300486 0.77 EGLN1 (0.41) KDM4EALDH1A1HTTCA1CA9
SCHEMBL11530821 0.76 LMNA (0.47) KMT2ALMNATSHRALOX5POLB
SCHEMBL11527702 0.73 KMT2A (0.49) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL11528144 0.73 CYP4F2 (0.47) KMT2ANPSR1KDM4ELMNAALDH1A1
SCHEMBL12104209 0.72 CA1 (0.43) CA1CA9
SCHEMBL353004 0.72 CA1 (0.43) CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783511-B2 Carbamate benzoxazine propionic acids and acid derivatives for modulation of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-10-10 US disclosed
US-9783511-B2 Carbamate benzoxazine propionic acids and acid derivatives for modulation of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-10-10 US disclosed
US-9783511-B2 Carbamate benzoxazine propionic acids and acid derivatives for modulation of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-10-10 US disclosed
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-27 US disclosed
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-27 US disclosed
WO-2015095792-A1 CARBAMATE BENZOXAXINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORGAMMA ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 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 (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-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC KMT2A 780/4885NPSR1 1636/4885KDM4E 1153/4885

“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.