SCHEMBL3385727

SCHEMBL3385727

NCCC(=O)c1cccc(S(=O)(=O)CC2(O)CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA13 Q8N1Q1 3/20 0.36
CA9 Q16790 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
IL1RN P18510 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL1725084 0.99 GAA (0.38) HSD11B1CA12CA1CA2CA6
SCHEMBL1711023 0.84 CA12 (0.40) HSD11B1CA12CA1CA2CA9
SCHEMBL3388612 0.79 CA1 (0.43) CA12CA1CA2CA9GAA
SCHEMBL1727476 0.78 CA1 (0.42) CA12CA1CA2CA9GAA
SCHEMBL1710504 0.76 HTR6 (0.44) GAACYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL1710551 0.75 ALDH1A1 (0.45) HSD11B1CA12CA1CA2CA6
SCHEMBL1710588 0.75 L3MBTL1 (0.33) HSD11B1KMT2AALDH1A1L3MBTL1
SCHEMBL3386740 0.74 ALDH1A1 (0.47) HSD11B1CA2GAALMNASMN1; SMN2
SCHEMBL1710600 0.74 ATM (0.40) GAASMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL1724446 0.74 ALDH1A1 (0.32) HSD11B1KMT2AALDH1A1L3MBTL1

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
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 HSD11B1 1087/4885CA12 2817/4885CA1 4504/4885

“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.