SCHEMBL21033369

SCHEMBL21033369

O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 6/20 0.68
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
RECQL P46063 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
PKM P14618 4/20 0.50
CYP1A2 P05177 3/20 0.50
MAPT P10636 3/20 0.50
BRCA1 P38398 3/20 0.50
P2RX1 P51575 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
NFKB1 P19838 2/20 0.50
APEX1 P27695 2/20 0.50
CYP2C19 P33261 2/20 0.50
STAT1 P42224 2/20 0.50

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
SCHEMBL11598268 0.83 TIMP3 (0.65) TIMP3MEN1KMT2ARECQLHSD17B10
SCHEMBL4027006 0.79 TIMP3 (0.60) TIMP3MEN1KMT2ARECQLHSD17B10
SCHEMBL16705175 0.78 ENPP2 (0.54) KMT2ARECQLMAPTKDM4EPOLB
SCHEMBL11348333 0.76 TIMP3 (0.59) TIMP3MEN1KMT2ARECQLHSD17B10
SCHEMBL11342482 0.76 TIMP3 (0.59) TIMP3MEN1KMT2ARECQLHSD17B10
SCHEMBL1902159 0.75 TIMP3 (1.00) TIMP3MEN1KMT2ARECQLHSD17B10
SCHEMBL11350653 0.75 TIMP3 (0.55) TIMP3ENPP2HPSEPRMT1SIRT1
SCHEMBL11340825 0.75 TIMP3 (0.55) TIMP3MEN1KMT2ARECQLHSD17B10
SCHEMBL20687395 0.75 TIMP3 (0.67) TIMP3MEN1KMT2ARECQLHSD17B10
SCHEMBL15887035 0.75 TIMP3 (0.48) TIMP3MEN1KMT2APKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190160029-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-30 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 (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-20190160029-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION VASP, MYLK, EDNRB TIMP3 506/4885MEN1 4338/4885KMT2A 3904/4885

“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.