SCHEMBL21730449

SCHEMBL21730449

CCC(CC)C(=O)NC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.53
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
SMYD3 Q9H7B4 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.37
HTR4 Q13639 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
SCHEMBL21730569 0.90 GNAI3 (0.48) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL13266366 0.86 CYP1A2 (0.51) EPHX1CYP1A2SIGMAR1SMYD3USP2
SCHEMBL19933188 0.85 GNAI3 (0.57) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL21730427 0.84 EPHX1 (0.52) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL13266367 0.82 EPHX1 (0.49) EPHX1CYP1A2SIGMAR1USP2TSHR
Hydrochloric Acid SCHEMBL11627259 0.82 EPHX1 (0.50) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL5197128 0.81 EPHX1 (0.56) EPHX1CYP1A2SIGMAR1EPHX2SMN1; SMN2
SCHEMBL19752750 0.80 SIGMAR1 (0.54) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL255421 0.79 EPHX1 (0.59) EPHX1GNAI3GNAO1GNAI1POLB
Hydrochloric Acid SCHEMBL28770959 0.78 GNAI3 (0.47) EPHX1GNAI3GNAO1GNAI1POLB

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 EPHX1 3316/4885GNAI3 1301/4885GNAO1 2340/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO EPHX1 3316/4885GNAI3 1301/4885GNAO1 2340/4885
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO EPHX1 3316/4885GNAI3 1301/4885GNAO1 2340/4885
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO EPHX1 3316/4885GNAI3 1301/4885GNAO1 2340/4885

“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.