SCHEMBL20063870

SCHEMBL20063870

CN(C)[C@H]1CC(c2cccc(C(F)(F)F)c2)=CC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
RORC P51449 9/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
KIF11 P52732 1/20 0.36
TP53 P04637 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL20073052 0.88 HDAC4 (0.41) RXFP1RORCKIF11HDAC4HDAC6
SCHEMBL21306631 0.87 KAT6A (0.37) RORCBRD4CREBBP
SCHEMBL29482004 0.86 CTSB (0.36) POLBBRD4CREBBP
SCHEMBL20063873 0.86 CTSB (0.36) POLBBRD4CREBBP
SCHEMBL20063728 0.86 RXFP1 (0.40) RXFP1RORCTAS1R3TAS1R1TAS1R2
SCHEMBL20063872 0.86 CTSB (0.36) POLBBRD4CREBBP
SCHEMBL20063894 0.86 USP30 (0.38) RORCBRD4CREBBP
SCHEMBL21838623 0.86 RXFP1 (0.40) RXFP1RORCTAS1R3TAS1R1TAS1R2
SCHEMBL20063855 0.84 KDM1A (0.39) RORCBRD4CREBBP
SCHEMBL20063853 0.84 KDM1A (0.39) RORCBRD4CREBBP

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 RXFP1 45/4885RORC 1424/4885TAS1R3 2889/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 RXFP1 45/4885RORC 1424/4885TAS1R3 2889/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 RXFP1 48/4885RORC 1426/4885TAS1R3 2908/4885

“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.