SCHEMBL19798461

SCHEMBL19798461

O=S(=O)(Cc1ccccc1)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
CRBN Q96SW2 1/20 0.41
EPHX2 P34913 4/20 0.41
MAPK1 P28482 1/20 0.41
FAAH O00519 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40
PRSS3 P35030 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
SCHEMBL19808659 0.84 HSD11B1 (0.38) P2RX7MEN1KMT2AHSD11B1LMNA
SCHEMBL19808495 0.78 P2RX7 (0.56) P2RX7MEN1KMT2AHSD11B1ALDH1A1
SCHEMBL19798460 0.76 KMT2A (0.51) P2RX7MEN1KMT2AALDH1A1CRBN
SCHEMBL3239648 0.76 HSD11B1 (0.48) P2RX7MEN1KMT2AHSD11B1ALDH1A1
SCHEMBL354182 0.72 MEN1 (0.56) P2RX7MEN1KMT2AHSD11B1ALDH1A1
SCHEMBL19798471 0.72 P2RX7 (0.53) P2RX7MEN1KMT2AEPHX2
SCHEMBL19798459 0.72 EPHX2 (0.50) P2RX7MEN1KMT2AHSD11B1ALDH1A1
SCHEMBL11637354 0.72 CA1 (0.45) KMT2ATSHRHPGDLMNACRBN
SCHEMBL88641 0.71 CA2 (0.64) KMT2AALDH1A1TSHRHPGDLMNA
SCHEMBL19798440 0.70 CRBN (0.44) HSD11B1TSHRHPGDCRBNEPHX2

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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 P2RX7 2319/4885MEN1 1504/4885KMT2A 667/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 P2RX7 2319/4885MEN1 1504/4885KMT2A 667/4885

“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.