SCHEMBL21659151

SCHEMBL21659151

CC(C)NCCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
CA4 P22748 2/20 0.41
GRIA4 P48058 1/20 0.41
PTGS2 P35354 1/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL12871157 0.84 CA2 (0.62) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL12869938 0.81 EPHX2 (0.45) ALDH1A1CA1CA2CA9CA12
SCHEMBL17117472 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL8342086 0.79 TAAR1 (0.53) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL17143188 0.79 LMNA (0.58) MEN1KMT2AALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL17107145 0.78 ADRB2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2KCNH2
SCHEMBL18997895 0.77 GAA (0.58) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL17132575 0.76 RORC (0.49) ALDH1A1CA2PTGS2KCNJ1KCNH2
SCHEMBL23695828 0.75 SIGMAR1 (0.49) MEN1KMT2AALDH1A1CA2SMN1; SMN2
SCHEMBL10087662 0.75 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS RESEARCH TRIANGLE INSTITUTE 2020-01-30 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-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS NPFFR1, NPFFR2, NPBWR1 MEN1 3750/4885KMT2A 4361/4885ALDH1A1 3691/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 MEN1 3750/4885KMT2A 4361/4885ALDH1A1 3691/4885

“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.