SCHEMBL3475608

SCHEMBL3475608

O=C(Nc1nc(C(F)(F)F)c(C(=O)O)s1)c1cc(Br)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 4/20 0.52
SORT1 Q99523 2/20 0.43
PI4KB Q9UBF8 1/20 0.41
PLAU P00749 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLAT P00750 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL330403 0.87 TMPRSS4 (0.55) TMPRSS4SORT1PLAUF2F10
SCHEMBL330104 0.84 SMN1; SMN2 (0.48) TMPRSS4MAPTSMN1; SMN2
SCHEMBL29403662 0.84 SMN1; SMN2 (0.48) TMPRSS4MAPTSMN1; SMN2
SCHEMBL332059 0.84 TMPRSS4 (0.49) TMPRSS4PI4KBRIPK1
SCHEMBL330526 0.80 TMPRSS4 (0.42) TMPRSS4SORT1PLAUF2F10
SCHEMBL3278037 0.80 ADORA3 (0.52) MAPTSMN1; SMN2
SCHEMBL330258 0.79 TMPRSS4 (0.43) TMPRSS4SORT1PLAUF2F10
SCHEMBL331430 0.78 MAPT (0.53) TMPRSS4SORT1PLAUF2F10
SCHEMBL5067154 0.76 NPC1 (0.58) TMPRSS4PLAUF2F10PLAT
SCHEMBL329927 0.75 DHODH (0.54) MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AEROMICS, INC. (US) 2024-01-16 US disclosed
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AEROMICS, INC. (US) 2021-08-10 US disclosed
US-20180334424-A1 METHODS AEROMICS, INC. 2018-11-22 US disclosed
EP-2846787-B1 Compounds for use in the treatment of aquaporin-mediated diseases AEROMICS INC (US) 2018-08-29 EP disclosed
US-9994514-B2 Methods of treating cerebral edema and spinal cord edema AEROMICS, INC. (US) 2018-06-12 US disclosed
US-9949991-B2 Methods of treating aquaporin-mediated conditions AEROMICS, INC. (US) 2018-04-24 US disclosed
US-9573885-B2 Methods of treating cerebral edema AEROMICS, INC. (US) 2017-02-21 US disclosed
US-20160346302-A1 NOVEL METHODS AEROMICS, INC. (US) 2016-12-01 US disclosed
EP-3065728-A1 NOVEL METHODS Aeromics, Inc. (US) 2016-09-14 EP disclosed
US-20150342967-A1 METHODS AEROMICS, INC. 2015-12-03 US disclosed
WO-2015069948-A1 NOVEL METHODS AEROMICS, LLC (US) 2015-05-14 WO disclosed
US-20150133405-A1 Methods AEROMICS, INC. 2015-05-14 US disclosed
EP-2846787-A2 NEW METHODS Aeromics LLC (US) 2015-03-18 EP disclosed
WO-2013169939-A2 NEW METHODS AEROMICS, LLC (US) 2013-11-14 WO disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US 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 (7 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-20150342967-A1 METHODS AQP4, AQP1, AQP3 TMPRSS4 1257/4885SORT1 2889/4885PI4KB 169/4885
US-20180334424-A1 METHODS AQP4, AQP1, AQP3 TMPRSS4 1257/4885SORT1 2889/4885PI4KB 169/4885
US-20160346302-A1 NOVEL METHODS AQP4, AQP1, AQP3 TMPRSS4 2227/4885SORT1 4016/4885PI4KB 633/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1813/4885SORT1 2595/4885PI4KB 1474/4885
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AQP4, AQP1, AQP3 TMPRSS4 946/4885SORT1 2896/4885PI4KB 340/4885
US-20150133405-A1 Methods AQP4, AQP1, AQP3 TMPRSS4 1257/4885SORT1 2889/4885PI4KB 169/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 TMPRSS4 1444/4885SORT1 2728/4885PI4KB 406/4885

“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.