SCHEMBL20173268

SCHEMBL20173268

CC(C)(C)c1cnn(C(=O)OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTR2C P28335 1/20 0.42
P2RX4 Q99571 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AGTR2 P50052 1/20 0.39
CTRB1 P17538 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL16804931 0.82 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL23481671 0.81 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL17653873 0.79 RAB9A (0.49) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL3916011 0.79 NPC1 (0.45) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL16803969 0.78 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL4063190 0.78 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL20173261 0.78 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL29010237 0.76 NPC1 (0.43) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL3922553 0.76 P2RX4 (0.45) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL16543486 0.75 PLAU (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2020-09-08 US disclosed
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS PFIZER INC. 2020-01-16 US disclosed
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS PFIZER INC. 2019-10-31 US disclosed
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION 2019-07-25 US disclosed
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-05-28 US disclosed
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-02-19 US disclosed
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 US disclosed
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 US disclosed
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 US disclosed
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-05-24 US disclosed
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-05-24 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-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 ALDH1A1 3018/4885NPC1 470/4885RAB9A 1451/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 ALDH1A1 3154/4885NPC1 392/4885RAB9A 1649/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885NPC1 1742/4885RAB9A 1235/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885NPC1 1742/4885RAB9A 1235/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885NPC1 1742/4885RAB9A 1235/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 ALDH1A1 2886/4885NPC1 475/4885RAB9A 2182/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 ALDH1A1 2993/4885NPC1 1796/4885RAB9A 1282/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALDH1A1 2993/4885NPC1 1796/4885RAB9A 1282/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 ALDH1A1 2886/4885NPC1 475/4885RAB9A 2182/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 ALDH1A1 3154/4885NPC1 392/4885RAB9A 1649/4885

“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.