SCHEMBL26790097

SCHEMBL26790097

O=C(NS(=O)(=O)C1CC1)[C@@H]1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
PMP22 Q01453 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
SLC6A1 P30531 3/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL30466711 1.00 TSHR (0.36) TSHRGABRA5GABRA1GABRG2GABRB3
SCHEMBL15082266 0.80 TSHR (0.38) TSHRGABRA5GABRA1GABRG2GABRB3
SCHEMBL21235945 0.80 TSHR (0.38) TSHRGABRA5GABRA1GABRG2GABRB3
SCHEMBL15082182 0.80 KDM4E (0.40) TSHRGABRA5GABRA1GABRG2GABRB3
SCHEMBL6885111 0.78 EPHX2 (0.37) LMNASMN1; SMN2KMT2APOLB
SCHEMBL23105808 0.73 CCNT1 (0.33) TSHRGABRA5GABRA1GABRG2GABRB3
SCHEMBL4125597 0.71
SCHEMBL16025168 0.71
SCHEMBL14756734 0.71
SCHEMBL15082262 0.71

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-20230357219-A1 PREPARATION OF BIARYL RING-LINKED AROMATIC HETEROCYCLIC DERIVATIVE AS IMMUNOMODULATOR AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357219-A1 PREPARATION OF BIARYL RING-LINKED AROMATIC HETEROCYCLIC DERIVATIVE AS IMMUNOMODULATOR AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-11-09 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 (1 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-20230357219-A1 PREPARATION OF BIARYL RING-LINKED AROMATIC HETEROCYCLIC DERIVATIVE AS IMMUNOMODULATOR AND USE THEREOF PDCD1, CD274, PDCD1LG2 TSHR 1673/4885GABRA5 1490/4885GABRA1 953/4885

“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.