SCHEMBL20059917

SCHEMBL20059917

O=[SH](=O)Nc1ccc(C[C@H](Nc2ncc(-c3ccc(F)cc3F)o2)c2csc(-c3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 10/20 0.42
LMNA P02545 2/20 0.35
GAA P10253 3/20 0.33
MGAM O43451 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19775531 0.89 PTPRB (0.48) PTPRB
SCHEMBL468301 0.88 PTPRB (0.58) PTPRB
SCHEMBL468303 0.88 PTPRB (0.58) PTPRB
SCHEMBL19775428 0.83 PTPRB (0.47) PTPRBLMNAADRB2ADRB1ADRB3
SCHEMBL19775498 0.82 VCP (0.43) PTPRBLMNAALDH1A1MAPT
SCHEMBL20059857 0.81 PTPRB (0.44) PTPRBLMNAGAAALDH1A1MAPT
SCHEMBL21514621 0.81 ACKR3 (0.31) PTPRBLMNA
SCHEMBL19775584 0.80
SCHEMBL20810397 0.80 PTPRB (0.42) PTPRB
SCHEMBL20060097 0.76 PTPRB (0.37) PTPRBHDAC6ALDH1A1

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
EP-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP disclosed
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2020-07-02 US disclosed
EP-3607821-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics, Inc. (US) 2020-02-12 EP disclosed
EP-2385763-B1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AERPIO THERAPEUTICS INC (US) 2018-04-18 EP 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-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 PTPRB 551/4885LMNA 900/4885GAA 2308/4885

“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.