SCHEMBL4627734

SCHEMBL4627734

O=S(=O)(O)c1ccc2cccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
KMT2A Q03164 1/20 0.55
LOXL2 Q9Y4K0 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR4A2 P43354 1/20 0.50
PTPRC P08575 1/20 0.45
ALOX15 P16050 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45

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
Hydrochloric Acid SCHEMBL28291893 0.98 ALDH1A1 (0.54) ALDH1A1HTTKDM4ELMNASMN1; SMN2
SCHEMBL6443612 0.86 ALDH1A1 (0.55) ALDH1A1HTTKDM4ELMNASMN1; SMN2
SCHEMBL29819245 0.86 ALDH1A1 (0.55) ALDH1A1HTTKDM4ELMNASMN1; SMN2
SCHEMBL4118813 0.84 ALDH1A1 (0.54) ALDH1A1HTTKDM4ELMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL28240453 0.84 ALDH1A1 (0.54) ALDH1A1HTTKDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27788099 0.84 ALDH1A1 (0.54) ALDH1A1HTTKDM4ELMNASMN1; SMN2
SCHEMBL25365468 0.84 ALDH1A1 (0.52) ALDH1A1HTTKDM4ELMNASMN1; SMN2
SCHEMBL19692951 0.82 NR4A2 (0.55) ALDH1A1HTTKDM4ELMNASMN1; SMN2
SCHEMBL8312967 0.82 LMNA (0.56) ALDH1A1HTTLMNATDP1MEN1
SCHEMBL11679834 0.82 HTT (0.55) ALDH1A1HTTKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US claimed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US claimed
WO-2005103683-A1 QUANTITATIVE METHOD OF DETERMINING BERYLLIUM OR A COMPOUND THEREOF IN A SAMPLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-03 WO claimed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US claimed
EP-2473563-A2 REACTIVE CYANINE COMPOUNDS Promega Corporation (US) 2012-07-11 EP disclosed
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
EP-1667635-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US disclosed
CN-1190395-A Substituted (sulfonic, sulfinic, sulfonamido or sulfonamido) N- [ aminoiminomethyl) phenylalkyl ] -azaheterocyclic amide compounds RHONE POULENC RORER PHARMA (US) 1998-08-12 CN disclosed
EP-0144776-B1 FIBRE-REACTIVE CHROMIUM COMPLEXES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1989-10-11 EP disclosed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 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 (2 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-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 ALDH1A1 2753/4885HTT 3349/4885KDM4E 1327/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 ALDH1A1 2753/4885HTT 3349/4885KDM4E 1327/4885

“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.