SCHEMBL19775498

SCHEMBL19775498

COc1cccc(-c2cnc(N[C@@H](Cc3ccc(N[SH](=O)=O)cc3)c3csc(-c4ccccc4)n3)o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.43
PTPRB P23467 9/20 0.41
FLT1 P17948 3/20 0.38
FLT4 P35916 3/20 0.38
KDR P35968 3/20 0.38
IMPDH2 P12268 1/20 0.38
FAAH O00519 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MME P08473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35

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 0.90 PTPRB (0.48) VCPPTPRBFLT1FLT4KDR
SCHEMBL467924 0.88 PTPRB (0.57) VCPPTPRB
SCHEMBL468300 0.88 PTPRB (0.57) VCPPTPRB
SCHEMBL686835 0.86 MAOB (0.42) VCPPTPRBFLT1FLT4KDR
SCHEMBL500482 0.86 MAOB (0.42) VCPPTPRBFLT1FLT4KDR
SCHEMBL20059857 0.84 PTPRB (0.44) PTPRBKDM4ELMNAMAPTALDH1A1
SCHEMBL20810397 0.83 PTPRB (0.42) VCPPTPRBFLT1FLT4KDR
SCHEMBL20059917 0.82 PTPRB (0.42) PTPRBLMNAMAPTALDH1A1
SCHEMBL468110 0.80 PTPRB (0.56) VCPPTPRB
SCHEMBL468107 0.80 PTPRB (0.56) VCPPTPRB

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 7 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-2967066-B1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC (US) 2019-10-23 EP disclosed
EP-2451279-B1 BENZOSULFONAMIDE DERIVATIVES, COMPOSITIONS THEREOF, AND THEIR USE IN PREVENTING METASTASIS OF CANCER CELLS AERPIO THERAPEUTICS INC (US) 2019-03-13 EP disclosed
EP-2385763-B1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AERPIO THERAPEUTICS INC (US) 2018-04-18 EP disclosed
EP-2624916-B1 THIADIAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF OCULAR EDEMA AERPIO THERAPEUTICS INC (US) 2018-01-17 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 VCP 3196/4885PTPRB 551/4885FLT1 229/4885

“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.