SCHEMBL3773345

SCHEMBL3773345

CC1(C)C(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.36
CA1 P00915 3/20 0.36
CA12 O43570 2/20 0.36
AADAT Q8N5Z0 1/20 0.36
CA2 P00918 2/20 0.34
POLB P06746 1/20 0.33
FFAR1 O14842 3/20 0.33
CA4 P22748 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPP2 Q13822 1/20 0.31
CXCR3 P49682 1/20 0.30

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
SCHEMBL3772575 0.85 TNF (0.35) CA9CA1CA12AADATCA2
SCHEMBL3775769 0.82 CA12 (0.47) CA9CA12HPGDALDH1A1MAPT
SCHEMBL3781253 0.82 CA12 (0.47) CA9CA12HPGDALDH1A1MAPT
SCHEMBL3781224 0.78 KDM4E (0.50) CA9CA1CA12CA2KDM4E
SCHEMBL3770131 0.74 KDM4E (0.35) KDM4ELMNA
SCHEMBL3785354 0.73 KMT2A (0.33) KMT2A
SCHEMBL3782593 0.72 ALDH1A1 (0.42) CA9CA1CA12CA2KDM4E
SCHEMBL3781633 0.72 CXCR3 (0.35) POLBALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3780803 0.71 ALDH1A1 (0.40) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
Potassium Ion SCHEMBL3773406 0.69 CA12 (0.41) CA9CA12HPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-20090118519-A1 Production Method of Polycyclic Lactams SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 US disclosed
EP-2014647-A1 PROCESS FOR PRODUCING POLYCYCLIC LACTAM Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP 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-20090118519-A1 Production Method of Polycyclic Lactams MRPL21, COASY, ASNS CA9 216/4885CA1 546/4885CA12 786/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS CA9 221/4885CA1 569/4885CA12 784/4885

“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.