SCHEMBL21048449

SCHEMBL21048449

Cc1noc(C(C)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
TSHR P16473 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 2/20 0.42
MAPT P10636 1/20 0.42
RIPK1 Q13546 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CYP2D6 P10635 1/20 0.38
CTSK P43235 1/20 0.38
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL16829024 1.00 KMT2A (0.52) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL13489685 0.81 HSD17B10 (0.43) KMT2ATSHRHSD17B10ALDH1A1LMNA
SCHEMBL8869251 0.81 ALDH1A1 (0.40) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL4700130 0.81 TP53 (0.38) KMT2ATSHRHSD17B10ALDH1A1LMNA
SCHEMBL9225777 0.81 ALDH1A1 (0.40) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL8869476 0.81 TP53 (0.38) KMT2ATSHRHSD17B10ALDH1A1LMNA
SCHEMBL8869239 0.81 ALDH1A1 (0.40) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL8247638 0.80 KMT2A (0.45) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL20559918 0.80 KMT2A (0.47) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL20559922 0.80 KMT2A (0.47) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214240-B N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof 杭州维坦医药科技有限公司 2022-12-06 CN disclosed
CN-113214240-A N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof 杭州维坦医药科技有限公司 2021-08-06 CN disclosed
CN-111892585-A N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof 杭州维坦医药科技有限公司 2020-11-06 CN disclosed
US-10544145-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2020-01-28 US disclosed
US-20190248789-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ABS DEVELOPMENT 1, INC. 2019-08-15 US disclosed
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2019-06-11 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-10544145-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 KMT2A 2807/4885TSHR 1014/4885HSD17B10 4792/4885
US-20190248789-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 KMT2A 2807/4885TSHR 1014/4885HSD17B10 4792/4885
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 KMT2A 2807/4885TSHR 1014/4885HSD17B10 4792/4885

“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.