SCHEMBL5435010

SCHEMBL5435010

O=S(=O)(NCCCO)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
ALDH1A1 P00352 5/20 0.59
SIGMAR1 Q99720 4/20 0.57
PKM P14618 4/20 0.56
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP13 P45452 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP8 P22894 1/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP19A1 P11511 1/20 0.50
KDM4E B2RXH2 1/20 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
SCHEMBL2007611 0.95 GAA (0.59) GAAALDH1A1SIGMAR1PKMMMP1
SCHEMBL5499591 0.93 ALDH1A1 (0.59) GAAALDH1A1SIGMAR1PKMMMP1
SCHEMBL2013273 0.93 ALDH1A1 (0.59) GAAALDH1A1SIGMAR1PKMMMP1
SCHEMBL2009051 0.90 MMP2 (0.59) GAAALDH1A1SIGMAR1PKMMMP1
SCHEMBL1348420 0.89 ALDH1A1 (0.64) GAAALDH1A1SIGMAR1PKMMMP1
SCHEMBL12570903 0.89 MMP2 (0.57) GAAALDH1A1SIGMAR1PKMMMP1
SCHEMBL9780583 0.87 ALDH1A1 (0.67) GAAALDH1A1SIGMAR1PKMMMP1
SCHEMBL9577239 0.85 SIGMAR1 (0.68) GAAALDH1A1SIGMAR1PKMMMP1
SCHEMBL10462666 0.84 TBXA2R (0.60) ALDH1A1CA1CA2KMT2ATDP1
SCHEMBL4703731 0.82 CA12 (0.71) GAAALDH1A1PKMCA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-6365605-B1 ADMINISTERING D.SUB.3 RECEPTOR LIGAND FOR THERAPY OF CONDITIONS SELECTED FROM DEPRESSION, SCHIZOPHRENIA, PSYCHOSES, PARKINSONS'S DISEASE, MEMORY DISORDERS, AND DISORDERS ASSOCIATED WITH DRUG ABUSE LES LABORATOIRES SERVIER (FR) 2002-04-02 US disclosed
US-6326377-B1 PSYCHOLOGICAL DISORDERS THERAPY ADIR ET COMPAGNIE (FR) 2001-12-04 US disclosed
EP-0887350-B1 Chromene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-22 EP disclosed
US-6090837-A PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 2000-07-18 US disclosed
EP-0887350-A1 Chromene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-12-30 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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR GAA 1753/4885ALDH1A1 3322/4885SIGMAR1 3487/4885

“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.