SCHEMBL21730508

SCHEMBL21730508

CC(C)/C=C/C(=O)NC1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
TEAD1 P28347 1/20 0.38
RAB9A P51151 1/20 0.38
SSTR4 P31391 4/20 0.37
P2RX4 Q99571 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21730466 1.00 TAS1R3 (0.50) TAS1R3TAS1R1POLBKDM4ENPC1
SCHEMBL23081639 0.86 TAS1R3 (0.59) TAS1R3TAS1R1POLBNPC1SMN1; SMN2
SCHEMBL21730546 0.81 POLB (0.46) POLBKDM4ENPC1SMN1; SMN2HTT
SCHEMBL12051199 0.81 TAS1R3 (0.63) TAS1R3TAS1R1POLBKDM4ENPC1
SCHEMBL25646004 0.77 SSTR4 (0.41) POLBKDM4ESSTR4P2RX4ALDH1A1
SCHEMBL21730487 0.76 TAS1R3 (0.40) TAS1R3TAS1R1KDM4E
SCHEMBL23553945 0.76 TAS1R3 (0.41) TAS1R3TAS1R1NPC1SMN1; SMN2RAB9A
SCHEMBL22961916 0.75 POLB (0.44) POLBKDM4ENPC1SMN1; SMN2HTT
SCHEMBL15695612 0.75 TEAD1 (0.50) KDM4ETEAD1SSTR4P2RX4ALDH1A1
SCHEMBL21730621 0.75 ACHE (0.43) TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
US-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-02-02 US disclosed
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-20 US disclosed
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-20 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 (4 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-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO TAS1R3 3711/4885TAS1R1 3357/4885POLB 3457/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO TAS1R3 3711/4885TAS1R1 3357/4885POLB 3457/4885
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO TAS1R3 3711/4885TAS1R1 3357/4885POLB 3457/4885
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO TAS1R3 3711/4885TAS1R1 3357/4885POLB 3457/4885

“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.