SCHEMBL10129426

SCHEMBL10129426

CC(C)Nc1nccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.59
KRAS P01116 1/20 0.50
SOS1 Q07889 1/20 0.50
CYP2A6 P11509 1/20 0.50
APP P05067 1/20 0.47
ACP1 P24666 1/20 0.46
F12 P00748 1/20 0.46
PLAU P00749 1/20 0.46
NCF1 P14598 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
TLR7 Q9NYK1 1/20 0.44
BTK Q06187 1/20 0.43
EGFR P00533 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL31098972 1.00 FDPS (0.59) FDPSKRASSOS1CYP2A6APP
SCHEMBL24998856 0.86 FDPS (0.56) FDPSKRASSOS1CYP2A6F12
SCHEMBL22368677 0.86 FDPS (0.60) FDPSKRASSOS1CYP2A6F12
SCHEMBL9378825 0.83 GALR3 (0.59) FDPSKRASSOS1EGFRKMT2A
SCHEMBL9378746 0.83 GALR3 (0.59) FDPSKRASSOS1EGFRKMT2A
SCHEMBL11197594 0.82 FDPS (0.56) FDPSKRASSOS1CYP2A6F12
SCHEMBL11189871 0.82 FDPS (0.56) FDPSKRASSOS1CYP2A6F12
SCHEMBL11189884 0.82 FDPS (0.56) FDPSKRASSOS1CYP2A6F12
SCHEMBL6623376 0.80 FDPS (0.58) FDPSKRASSOS1CYP2A6KMT2A
SCHEMBL6623378 0.80 FDPS (0.58) FDPSKRASSOS1CYP2A6KMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
US-9596856-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-20160066577-A1 MESOIONIC PESTICIDES FMC CORPORATION 2016-03-10 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 US disclosed
US-20110124669-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-7928122-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2011-04-19 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 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 (10 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV FDPS 3394/4885KRAS 2652/4885SOS1 2212/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 FDPS 2708/4885KRAS 218/4885SOS1 4484/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 FDPS 3655/4885KRAS 2800/4885SOS1 4555/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FDPS 3627/4885KRAS 2841/4885SOS1 4562/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 FDPS 3655/4885KRAS 2800/4885SOS1 4555/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FDPS 3655/4885KRAS 2800/4885SOS1 4555/4885
US-20160066577-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 FDPS 4655/4885KRAS 3811/4885SOS1 2451/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 FDPS 2708/4885KRAS 218/4885SOS1 4484/4885
US-20110124669-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 FDPS 3655/4885KRAS 2800/4885SOS1 4555/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FDPS 3686/4885KRAS 2857/4885SOS1 4555/4885

“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.