SCHEMBL22412349

SCHEMBL22412349

CC(C)CCNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
HTT P42858 1/20 0.56
FAAH O00519 2/20 0.52
TRPV1 Q8NER1 1/20 0.52
GAA P10253 4/20 0.50
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
HTR2A P28223 1/20 0.47
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL18703462 0.87 MGLL (0.78) MGLLSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL21452957 0.86 MGLL (0.64) MGLLSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL14617269 0.84 MGLL (0.84) MGLLSMN1; SMN2KMT2AMAPTLMNA
SCHEMBL19412173 0.84 MGLL (0.84) MGLLSMN1; SMN2KMT2AALDH1A1GLA
SCHEMBL14565135 0.82 MGLL (0.86) MGLLSMN1; SMN2ALDH1A1GLAFAAH
SCHEMBL11668314 0.82 MGLL (0.86) MGLLSMN1; SMN2ALDH1A1GLAFAAH
SCHEMBL16139295 0.82 MGLL (1.00) MGLLSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL15232603 0.82 MGLL (0.71) MGLLSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL28841037 0.82 MGLL (0.71) MGLLSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL17661807 0.82 MGLL (0.71) MGLLSMN1; SMN2KMT2AMAPTALDH1A1

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-114025844-B Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-07-26 CN disclosed
CN-114025844-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-02-08 CN disclosed
EP-3938038-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2022-01-19 EP disclosed
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2020-12-01 US disclosed
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-24 US disclosed
WO-2020186199-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-17 WO 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-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 MGLL 1551/4885SMN1; SMN2 3496/4885KMT2A 1767/4885
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 MGLL 1551/4885SMN1; SMN2 3496/4885KMT2A 1767/4885

“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.