SCHEMBL22015537

SCHEMBL22015537

CCCCNC(=O)CCCSC(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.50
FAAH O00519 5/20 0.49
CNR1 P21554 3/20 0.47
NAAA Q02083 1/20 0.47
HPGD P15428 1/20 0.47
DNM1 Q05193 2/20 0.46
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 3/20 0.42

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
SCHEMBL20420476 0.83 LMNA (0.51) CNR1HPGDMEN1KMT2A
SCHEMBL17229451 0.81 ALDH1A1 (0.42) CASP2FAAHCNR1HPGDDNM1
SCHEMBL15127636 0.80 CASP2 (0.55) CASP2FAAHCNR1NAAAHPGD
SCHEMBL22015478 0.80 ALDH1A1 (0.41) CASP2FAAHCNR1NAAAHPGD
SCHEMBL14493690 0.79 CASP2 (0.68) CASP2FAAHCNR1NAAADNM1
SCHEMBL726152 0.79 CASP2 (0.68) CASP2FAAHCNR1NAAADNM1
SCHEMBL8810883 0.79 FAAH (0.70) CASP2FAAHCNR1NAAADNM1
SCHEMBL24535370 0.79 CASP2 (0.42) CASP2FAAHNAAAHPGDMEN1
SCHEMBL17070318 0.78 ALDH1A1 (0.35) CASP2FAAHCNR1HPGDDNM1
SCHEMBL17070320 0.78 LPAR1 (0.37) CASP2FAAHCNR1HPGDDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822313-B2 Selective sulfonation of benzodiazepine derivatives IMMUNOGEN, INC. (US) 2020-11-03 US disclosed
US-20200157056-A1 SELECTIVE SULFONATION OF BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-05-21 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 (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-10822313-B2 Selective sulfonation of benzodiazepine derivatives GABRA2, GABRA4, GABRA1 CASP2 761/4885FAAH 2748/4885CNR1 41/4885
US-20200157056-A1 SELECTIVE SULFONATION OF BENZODIAZEPINE DERIVATIVES GABRA2, GABRA4, GABRA1 CASP2 761/4885FAAH 2748/4885CNR1 41/4885

“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.