SCHEMBL20676992

SCHEMBL20676992

COC(=O)[C@@H]1CCS(=O)(=O)N1[C@@H](C)c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1A P35348 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA1B P35368 1/20 0.39
P2RX7 Q99572 3/20 0.38
NAMPT P43490 1/20 0.38
ACKR3 P25106 1/20 0.38
KCNA5 P22460 2/20 0.38
GRM5 P41594 1/20 0.37
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL20677138 0.88 ADRA1D (0.41) MGLLADRA1DADRA1AADRA2BADRA1B
SCHEMBL1764679 0.75 GYS1 (0.45)
SCHEMBL19401473 0.75 GYS1 (0.45)
SCHEMBL22550989 0.72 ADRA1D (0.41) MGLLADRA1DADRA1AADRA2BADRA1B
SCHEMBL28388194 0.70 HRH3 (0.44)
SCHEMBL3937797 0.67 PTGS1 (0.56) ADRA1DADRA1AADRA2BKCNA5
SCHEMBL6166510 0.65 KMT2A (0.47) MGLL
SCHEMBL28562818 0.65 P2RX7 (0.38) P2RX7
SCHEMBL23081447 0.65 CREBBP (0.46) ADRA1DADRA1AADRA2BADRA1BKCNA5
SCHEMBL1565661 0.65 GRM4 (0.45) ADRA1DADRA1AADRA2BKCNA5

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-11111240-B2 Sultam compound and application method thereof Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-09-07 US disclosed
US-20210047314-A1 Sultam Compound And Application Method Thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2021-02-18 US disclosed
EP-3434671-A1 SULTAM COMPOUND AND APPLICATION METHOD THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-01-30 EP 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-11111240-B2 Sultam compound and application method thereof IDH1, IDH3A, IDH3B MGLL 3435/4885ADRA1D 4099/4885ADRA1A 3845/4885
US-20210047314-A1 Sultam Compound And Application Method Thereof IDH1, IDH3A, IDH3B MGLL 3435/4885ADRA1D 4099/4885ADRA1A 3845/4885

“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.