SCHEMBL1725854

SCHEMBL1725854

O=C(NCCCc1cccc(S(=O)(=O)CC2(O)CCCCC2)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
FDFT1 P37268 1/20 0.36
EPHX1 P07099 1/20 0.35
MLYCD O95822 1/20 0.35
FKBP1A P62942 2/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 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
SCHEMBL610947 0.83 POLB (0.41) POLBFDFT1EPHX1MLYCDALDH1A1
SCHEMBL611977 0.83 POLB (0.41) POLBFDFT1EPHX1MLYCDALDH1A1
SCHEMBL3387309 0.80 RORC (0.33) CYP3A4GAACYP2C19RORCSMN1; SMN2
SCHEMBL1710649 0.79 POLB (0.51) POLBFDFT1EPHX1MLYCDGAA
SCHEMBL2150898 0.79 POLB (0.38) POLBFDFT1EPHX1MLYCDCYP3A4
SCHEMBL1710504 0.79 HTR6 (0.44) CYP3A4GAACYP2C19ALDH1A1
SCHEMBL3388570 0.79 RORC (0.34) CYP3A4GAACYP2C19RORCALDH1A1
SCHEMBL14642804 0.78 POLB (0.41) POLBFDFT1EPHX1MLYCDALDH1A1
SCHEMBL4569046 0.78 FDFT1 (0.45) FDFT1MTNR1AMTNR1B
SCHEMBL4569053 0.78 FDFT1 (0.45) FDFT1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP 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 POLB 3064/4885FDFT1 143/4885EPHX1 3213/4885

“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.