SCHEMBL18978745

SCHEMBL18978745

CS(=O)(=O)c1cccc(CO)c1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CA12 O43570 1/20 0.35
GABRB2 P47870 1/20 0.34
BCAT2 O15382 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL3298438 0.85 PDCD1 (0.47) CYP2D6MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL5073898 0.82 TTR (0.44) CYP2D6CYP1A2GABRA1GABRG2GABRB3
SCHEMBL506623 0.82 CYP2D6 (0.45) CYP2D6MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL30569427 0.82 CYP2D6 (0.45) CYP2D6MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL18381130 0.79 ADRA2A (0.39) CYP3A4GABRA1GABRG2GABRB3EPAS1
SCHEMBL18621584 0.79 KMT2A (0.41) KMT2AEPAS1
SCHEMBL30125012 0.79 DUSP5 (0.38) CYP2D6CA12APEX1HDAC3HDAC1
SCHEMBL28589728 0.79 DUSP5 (0.38) CYP2D6CA12APEX1HDAC3HDAC1
SCHEMBL6466209 0.77 ALOX15 (0.46) CA12BCAT2
SCHEMBL10777232 0.77 CYP2D6 (0.49) CYP2D6KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181563-A1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS Biotech K. K. (JP) 2017-06-21 EP claimed
EP-3181563-B1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS BIOTECH CORP (JP) 2019-02-06 EP disclosed
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-10-23 US disclosed
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2018-08-23 US disclosed
US-9980487-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-05-29 US disclosed
US-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM SDS BIOTECH K.K. (JP) 2017-08-17 US disclosed
EP-3181563-A1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS Biotech K. K. (JP) 2017-06-21 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 (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-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 CYP2D6 498/4885MEN1 540/4885CYP1A2 99/4885
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them CYP51A1, CYP4Z1, ERG28 CYP2D6 498/4885MEN1 540/4885CYP1A2 99/4885
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 CYP2D6 498/4885MEN1 540/4885CYP1A2 99/4885

“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.