SCHEMBL1800801

SCHEMBL1800801

N[C@H](CCCCN1CCOCC1)C(=O)N(O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
EPHX2 P34913 4/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP3 P08254 2/20 0.40
MMP13 P45452 2/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL1800301 0.93 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1799153 0.85 EPHX2 (0.41) EPHX2KMT2AGAASMN1; SMN2MEN1
SCHEMBL3869204 0.83 MEN1 (0.48) MMP2MMP9MMP3MMP13KMT2A
SCHEMBL3869256 0.82 SMN1; SMN2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3869260 0.81 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2MEN1PTGS2
SCHEMBL4376127 0.81 L3MBTL1 (0.39) MMP2MMP9MMP3MMP13F10
SCHEMBL3882631 0.81 MEN1 (0.49) MMP2MMP9MMP3MMP13KMT2A
SCHEMBL1800587 0.79 SLC9A3 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1799300 0.77 MMP2 (0.39) MMP2MMP9KMT2AKDM4EALDH1A1
SCHEMBL1800363 0.76 MEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US claimed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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 (3 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 PSEN1 482/4885PSEN2 1104/4885APH1B 352/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 PSEN1 119/4885PSEN2 459/4885APH1B 87/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 PSEN1 558/4885PSEN2 1122/4885APH1B 555/4885

“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.