SCHEMBL3385696

SCHEMBL3385696

Cc1cc(C(O)CCN)cc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.32
EPHX2 P34913 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
SCHEMBL15461619 0.90 AKT1 (0.33) AKT1PIK3CATP53CNR1EPHX2
SCHEMBL1710622 0.87 AKT1 (0.34) AKT1PIK3CAKDM4ELMNASMN1; SMN2
SCHEMBL1710768 0.86 EPHX2 (0.36) CNR1EPHX2
SCHEMBL3386968 0.86 AKT1 (0.34) AKT1PIK3CA
SCHEMBL3386749 0.82 AKT1 (0.31) AKT1PIK3CA
SCHEMBL1710690 0.82 AGTR2 (0.33) AKT1PIK3CASMN1; SMN2
SCHEMBL1710530 0.82 AGTR2 (0.37) SMN1; SMN2
SCHEMBL1710803 0.81 EPHX1 (0.39) LMNACYP1A2ALOX12MAPK1SMN1; SMN2
SCHEMBL1710688 0.81 AGTR2 (0.37) SMN1; SMN2
SCHEMBL1723053 0.80 MMP2 (0.35) KDM4E

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
US-9957224-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ACUCELA INC (US) 2018-05-01 US disclosed
US-20140039048-A1 METHODS FOR THE TREATMENT OF DIABETIC RETINOPATHY AND OTHER OPHTHALMIC DISEASES ACUCELA INC. (US) 2014-02-06 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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-20140039048-A1 METHODS FOR THE TREATMENT OF DIABETIC RETINOPATHY AND OTHER OPHTHALMIC DISEASES ALDH1A2, ALDH1A3, RBP4 AKT1 3595/4885PIK3CA 4393/4885KDM4E 4647/4885
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 AKT1 4555/4885PIK3CA 4548/4885KDM4E 3778/4885

“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.