SCHEMBL21906535

SCHEMBL21906535

CS(=O)(=O)OCc1cnc(Oc2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
PGR P06401 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL21906359 0.87 KDM4E (0.47) RXRBALDH1A1HTTMMP2MEN1
SCHEMBL21906497 0.86 L3MBTL1 (0.46) RXRBALDH1A1HTTMMP13MEN1
SCHEMBL21906701 0.86 RXRB (0.42) RXRBHTTPTGS1PTGS2MEN1
SCHEMBL21907350 0.81 MEN1 (0.45) RXRBALDH1A1HTTMEN1KMT2A
SCHEMBL21906697 0.81 HTT (0.45) RXRBALDH1A1HTTPTGS1PTGS2
SCHEMBL21906704 0.80 RXRB (0.43) RXRBOXTRAVPR1A
SCHEMBL17541069 0.79 SIRT6 (0.42) SMN1; SMN2
SCHEMBL21906395 0.76 RXRB (0.46) RXRBALDH1A1OXTR
SCHEMBL21906519 0.75 RXRB (0.45) RXRBKMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL21906362 0.73 ALDH1A1 (0.47) RXRBALDH1A1HTTADAMTS4MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867244-B1 4-PYRAZIN-2-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2023-01-18 EP disclosed
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INT (DE) 2021-12-23 US disclosed
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-09 US disclosed
US-20200121691-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 US disclosed
WO-2020079039-A1 4-PYRAZIN-2-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 WO 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-20200121691-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885ALDH1A1 1285/4885HTT 1679/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885ALDH1A1 1285/4885HTT 1679/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885ALDH1A1 1285/4885HTT 1679/4885

“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.