SCHEMBL3389722

SCHEMBL3389722

NCCCc1cccc(S(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
LMNA P02545 4/20 0.53
KMT2A Q03164 2/20 0.53
HTR6 P50406 2/20 0.51
TSHR P16473 3/20 0.49
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 3/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 5/20 0.48
HPGD P15428 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL1710571 0.99 LMNA (0.54) ALDH1A1LMNAKMT2AHTR6TSHR
SCHEMBL13432804 0.87 ALDH1A1 (0.58) ALDH1A1LMNAKMT2ATSHRCYP3A4
SCHEMBL925251 0.81 ALDH1A1 (0.61) ALDH1A1LMNAKMT2ATSHRCYP3A4
SCHEMBL1710727 0.81 LMNA (0.55) ALDH1A1LMNAKMT2ATSHRCYP3A4
SCHEMBL15899804 0.79 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AHTR6TSHR
SCHEMBL3389805 0.79 ALDH1A1 (0.53) ALDH1A1LMNAKMT2ATSHRCYP3A4
SCHEMBL13432436 0.79 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ATSHRCYP3A4
SCHEMBL3387845 0.78 HTR6 (0.46) ALDH1A1KMT2AHTR6SMN1; SMN2MAPT
SCHEMBL14376189 0.77 ALDH1A1 (0.56) ALDH1A1LMNAKMT2ATSHRCYP3A4
SCHEMBL27885422 0.77 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTR6TSHR

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
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
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 (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 ALDH1A1 314/4885LMNA 3498/4885KMT2A 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.