SCHEMBL20173263

SCHEMBL20173263

CC(C)(C)c1cc(C(=O)OCc2ccccc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.49
SCD5 Q86SK9 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
FLT3 P36888 1/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL20021746 0.87 ALDH1A1 (0.43) SCDSCD5RAB9ANPC1POLB
SCHEMBL20181860 0.81 CYP1A2 (0.58) RAB9ANPC1POLBALDH1A1TDP1
SCHEMBL27253016 0.80 ALDH1A1 (0.57) RAB9ANPC1POLBALDH1A1TDP1
SCHEMBL352509 0.79 MAPK1 (0.49) RAB9ANPC1POLBALDH1A1KMT2A
SCHEMBL20654706 0.79 SMN1; SMN2 (0.59) SCDSCD5RAB9ANPC1ALDH1A1
SCHEMBL21618557 0.78 SCD (0.38) SCDSCD5RAB9ANPC1POLB
SCHEMBL20278723 0.78 L3MBTL1 (0.50) RAB9ANPC1ALDH1A1TDP1KMT2A
SCHEMBL8138007 0.76 ALDH1A1 (0.49) RAB9ANPC1POLBALDH1A1TDP1
SCHEMBL27477408 0.76 HSD17B10 (0.53) RAB9APOLBALDH1A1TDP1KMT2A
SCHEMBL19824657 0.74 TDP1 (0.46) RAB9APOLBALDH1A1TDP1KMT2A

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 14 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-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION 2021-06-10 US disclosed
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2020-09-08 US disclosed
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS PFIZER INC. 2019-10-31 US disclosed
US-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2019-08-13 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-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 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 (12 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-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 SCD 4264/4885SCD5 3738/4885RAB9A 1649/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 SCD 3892/4885SCD5 3908/4885RAB9A 1451/4885
US-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 SCD 4735/4885SCD5 4402/4885RAB9A 1235/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 SCD 4264/4885SCD5 3738/4885RAB9A 1649/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 SCD 4735/4885SCD5 4402/4885RAB9A 1235/4885
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 SCD 4336/4885SCD5 3658/4885RAB9A 2182/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 SCD 4735/4885SCD5 4402/4885RAB9A 1235/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 SCD 4336/4885SCD5 3658/4885RAB9A 2182/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 SCD 4712/4885SCD5 4369/4885RAB9A 1282/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 SCD 4712/4885SCD5 4369/4885RAB9A 1282/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 SCD 4336/4885SCD5 3658/4885RAB9A 2182/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 SCD 4264/4885SCD5 3738/4885RAB9A 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.