SCHEMBL3132483

SCHEMBL3132483

NCCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.58
IL1RN P18510 1/20 0.49
KEAP1 Q14145 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
ADRB3 P13945 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
POLB P06746 1/20 0.47
GBA1 P04062 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL15946028 0.87 HTR6 (0.50) HTR6IL1RNKEAP1ERAP1ADRB3
SCHEMBL3134261 0.86 ADRB3 (0.47) HTR6IL1RNKEAP1ERAP1ADRB3
SCHEMBL4793028 0.84 HTR6 (0.52) HTR6IL1RNKEAP1ERAP1ADRB3
SCHEMBL27840648 0.84 HTR6 (0.52) HTR6IL1RNKEAP1ERAP1ADRB3
SCHEMBL4605486 0.84 HTR6 (0.52) HTR6IL1RNKEAP1ERAP1ADRB3
SCHEMBL4605482 0.84 HTR6 (0.52) HTR6IL1RNKEAP1ERAP1ADRB3
SCHEMBL14020393 0.84 HTR6 (0.52) HTR6IL1RNKEAP1ERAP1ADRB3
SCHEMBL2150463 0.81 HTR6 (0.49) HTR6IL1RNKEAP1ERAP1ADRB3
SCHEMBL3130816 0.77 CA1 (0.40) ADRB3CA1CA2
SCHEMBL2197591 0.77 F2 (0.52) HTR6ADRB3GAAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
CN-102197023-B Compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-12-16 CN disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
CN-102197023-A Compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2011-09-21 CN disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 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 (3 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 HTR6 1873/4885IL1RN 3932/4885KEAP1 123/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 HTR6 1873/4885IL1RN 3932/4885KEAP1 123/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 HTR6 1873/4885IL1RN 3932/4885KEAP1 123/4885

“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.