SCHEMBL3386980

SCHEMBL3386980

CCCNS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 3/20 0.56
KMT2A Q03164 1/20 0.56
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KAT6A Q92794 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
HSD17B2 P37059 1/20 0.47
SIGMAR1 Q99720 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
SCHEMBL17049845 0.88 KMT2A (0.65) ATMKMT2ACA12CA1CA2
SCHEMBL17513498 0.86 ATM (0.60) ATML3MBTL1KMT2AKAT6AALDH1A1
SCHEMBL1348562 0.84 ATM (0.62) ATML3MBTL1KMT2ACA12CA2
SCHEMBL6758999 0.83 ATM (0.66) ATML3MBTL1KMT2AKAT6AALDH1A1
SCHEMBL30015741 0.83 ATM (0.70) ATML3MBTL1KMT2AKAT6AALDH1A1
SCHEMBL5320347 0.83 ATM (0.66) ATML3MBTL1KMT2AKAT6AALDH1A1
SCHEMBL1348672 0.83 ATM (0.70) ATML3MBTL1KMT2AKAT6AALDH1A1
SCHEMBL1348621 0.83 ATM (0.61) ATML3MBTL1KMT2AKAT6AALDH1A1
SCHEMBL29334656 0.83 ATM (0.61) ATML3MBTL1KMT2AKAT6AALDH1A1
Hydrochloric Acid SCHEMBL7966569 0.83 ATM (0.61) ATML3MBTL1KMT2ACA12CA2

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
CN-102203058-B Sulfur-linked compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2014-11-12 CN disclosed
CN-102203058-A Sulfur-linked compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2011-09-28 CN disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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 (1 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 ATM 1621/4885L3MBTL1 1514/4885KMT2A 2843/4885

“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.