SCHEMBL2124347

SCHEMBL2124347

CCCNC(=O)CCOCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.44
MCL1 Q07820 1/20 0.44
TSHR P16473 1/20 0.42
CNR1 P21554 2/20 0.42
NAAA Q02083 1/20 0.41
FAAH O00519 3/20 0.40
KMT2A Q03164 2/20 0.38
EPHX2 P34913 1/20 0.38
GAA P10253 1/20 0.38
DNM1 Q05193 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MEN1 O00255 1/20 0.37
CTSD P07339 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 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
SCHEMBL25516101 0.98 CASP2 (0.42) CASP2MCL1TSHRCNR1NAAA
SCHEMBL25516099 0.98 CASP2 (0.42) CASP2MCL1TSHRCNR1NAAA
SCHEMBL16560390 0.92 EPHX2 (0.45) CASP2TSHRCNR1NAAAFAAH
SCHEMBL21233609 0.91 TSHR (0.49) CASP2TSHRCNR1NAAAFAAH
SCHEMBL24982767 0.90 MEN1 (0.46) CASP2TSHRCNR1NAAAFAAH
SCHEMBL19544544 0.90 MEN1 (0.46) CASP2TSHRCNR1NAAAFAAH
SCHEMBL16315752 0.88 NAAA (0.47) CNR1NAAAFAAHKMT2AMEN1
SCHEMBL24341463 0.88 CASP2 (0.55) CASP2TSHRCNR1NAAAFAAH
SCHEMBL23711864 0.88 SMN1; SMN2 (0.44) CASP2MCL1TSHRCNR1NAAA
SCHEMBL2122730 0.88 CASP2 (0.50) CASP2TSHRCNR1NAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129614-A1 SOMATOSTATIN SUBTYPE-2 RECEPTOR (SST2R) TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2024-06-20 WO disclosed
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 US disclosed
US-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-25 US disclosed
US-20230149551-A1 ARGININE METHYLTRANSFERASE 5 (PRMT5) DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-18 US disclosed
WO-2020206137-A1 CDK2/5 DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-08 WO disclosed
US-8871894-B2 Production method of polyhydroxyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-10-28 US disclosed
US-20120094232-A1 PRODUCTION METHOD OF POLYHYDROXYIMIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 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 (5 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 CASP2 120/4885MCL1 1068/4885TSHR 4756/4885
US-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK ALK, ERBB2, PDGFRB CASP2 2751/4885MCL1 136/4885TSHR 2390/4885
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM SNCA, ADRM1, UBE3C CASP2 2795/4885MCL1 1313/4885TSHR 4450/4885
US-20230149551-A1 ARGININE METHYLTRANSFERASE 5 (PRMT5) DEGRADERS AND USES THEREOF PRMT5, PRMT1, PRMT6 CASP2 3408/4885MCL1 206/4885TSHR 2274/4885
US-20120094232-A1 PRODUCTION METHOD OF POLYHYDROXYIMIDE GRHPR, MRPL21, F12 CASP2 3884/4885MCL1 2958/4885TSHR 1032/4885

“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.