SCHEMBL3386740

SCHEMBL3386740

NCCC(=O)c1cccc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
HSD11B1 P28845 2/20 0.41
HTT P42858 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39
CACNA1H O95180 1/20 0.37
CA2 P00918 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1710551 0.99 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL16030435 0.88 AOC2 (0.40) ALDH1A1SMN1; SMN2HSD11B1HSD17B10POLB
SCHEMBL16030383 0.87 AOC2 (0.41) ALDH1A1SMN1; SMN2HSD11B1HSD17B10RAB9A
SCHEMBL13432924 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL16031359 0.86 HSD11B1 (0.39) ALDH1A1SMN1; SMN2KMT2ALMNAHSD11B1
SCHEMBL16031356 0.86 APEX1 (0.40) ALDH1A1SMN1; SMN2KMT2ALMNAHSD11B1
SCHEMBL1722782 0.85 PSEN1 (0.39) ALDH1A1SMN1; SMN2KMT2ALMNAHSD11B1
SCHEMBL3387847 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3383822 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL16150461 0.80 HSD11B1 (0.36) ALDH1A1SMN1; SMN2KMT2ALMNAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844636-B1 METHODS FOR THE TREATMENT OF PROLIFERATIVE DIABETIC RETINOPATHY ACUCELA INC (US) 2020-04-22 EP disclosed
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2017-01-26 US disclosed
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-08-11 US disclosed
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-06-02 US disclosed
US-9133154-B2 Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-09-15 US disclosed
US-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-09-18 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 (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-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 ALDH1A1 356/4885SMN1; SMN2 84/4885KMT2A 1533/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 ALDH1A1 356/4885SMN1; SMN2 84/4885KMT2A 1533/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 ALDH1A1 356/4885SMN1; SMN2 84/4885KMT2A 1533/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 ALDH1A1 356/4885SMN1; SMN2 84/4885KMT2A 1533/4885
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 ALDH1A1 314/4885SMN1; SMN2 129/4885KMT2A 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.