SCHEMBL19257958

SCHEMBL19257958

CN[C@@H](Cc1ccccc1)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.47
ADRB3 P13945 1/20 0.47
TAAR1 Q96RJ0 2/20 0.43
SLC18A2 Q05940 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CCR3 P51677 1/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDPK1 O15530 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HSPA1A P0DMV8 1/20 0.38
HSPA5 P11021 1/20 0.38
HSPA9 P38646 1/20 0.38
HSPA2 P54652 1/20 0.38

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
SCHEMBL22267911 0.85 CCR3 (0.39) PTPRBADRB3CCR3KDM4EL3MBTL1
SCHEMBL19257745 0.85 CCR3 (0.39) PTPRBADRB3CCR3KDM4EL3MBTL1
SCHEMBL18943837 0.85 PTPRB (0.45) PTPRBADRB3TAAR1SLC18A2SIGMAR1
SCHEMBL19647189 0.82 PTPRB (0.48) PTPRBADRB3SIGMAR1CCR3PKM
SCHEMBL18938234 0.82 ADRB3 (0.50) PTPRBADRB3CCR3PKMKDM4E
SCHEMBL23505743 0.81 EPHX1 (0.49) PTPRBADRB3TAAR1CCR3PKM
SCHEMBL22267964 0.80 ADRB3 (0.41) PTPRBADRB3TAAR1SLC18A2SIGMAR1
SCHEMBL19258135 0.80 ADRB3 (0.41) PTPRBADRB3TAAR1SLC18A2SIGMAR1
SCHEMBL28087988 0.80 ADRB3 (0.48) PTPRBADRB3CCR3PKMKDM4E
SCHEMBL8945778 0.80 SLC6A2 (0.37) PTPRBADRB3CCR3SLC6A2SLC6A4

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
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
US-11160874-B2 Glycoengineered antibody drug conjugates GENZYME CORPORATION (US) 2021-11-02 US disclosed
US-20210205463-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2021-07-08 US disclosed
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 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-11160874-B2 Glycoengineered antibody drug conjugates CD2BP2, B3GAT3, SIGLEC7 PTPRB 157/4885ADRB3 4589/4885TAAR1 4404/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 PTPRB 794/4885ADRB3 2727/4885TAAR1 3354/4885
US-20210205463-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES FCGR2A, FCGRT, FCGR1A PTPRB 203/4885ADRB3 4328/4885TAAR1 4359/4885

“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.