SCHEMBL20173301

SCHEMBL20173301

Cc1cccc(-c2cc(C(C)O)on2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
TP53 P04637 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 2/20 0.45
GRM5 P41594 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 2/20 0.42
CHEK1 O14757 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 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
SCHEMBL20173300 0.84 SMN1; SMN2 (0.43) RORCNPC1RAB9ATP53MEN1
SCHEMBL20162666 0.83 SMN1; SMN2 (0.43) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL1544440 0.83 NOTUM (0.54) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL29870172 0.81 RAB9A (0.51) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL20162878 0.80 MAPT (0.51) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL12586462 0.78 RAB9A (0.49) RORCNPC1RAB9ATP53MEN1
SCHEMBL3108844 0.75 RAB9A (0.55) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL1040166 0.75 CHEK1 (0.49) RORCNPC1RAB9ATP53MEN1
SCHEMBL15805892 0.75 RAB9A (0.60) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL2962439 0.74 GRM5 (0.43) NPC1RAB9ATP53MEN1KMT2A

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 2 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-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 (2 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-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 RORC 3027/4885NPC1 1742/4885RAB9A 1235/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 RORC 3043/4885NPC1 1796/4885RAB9A 1282/4885

“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.