SCHEMBL6096854

SCHEMBL6096854

CCCS(=O)(=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 8/20 0.45
HTT P42858 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
PSIP1 O75475 1/20 0.41
RAB9A P51151 2/20 0.41
MMP1 P03956 1/20 0.41
HPGD P15428 1/20 0.39
NR2F2 P24468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 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
SCHEMBL14426918 0.88 NPC1 (0.50) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL24944597 0.84 THRA (0.49) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL14139007 0.84 PSIP1 (0.58) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL4682702 0.80 NPC1 (0.50) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL4682707 0.78 CA2 (0.59) KMT2ANPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL29296547 0.78 NPC1 (0.49) KMT2ANPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL680611 0.77 PSIP1 (0.70) KMT2AHTTALDH1A1L3MBTL1MEN1
SCHEMBL4682788 0.77 NPC1 (0.47) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL23877120 0.76 NAPRT (0.53) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL8966797 0.76 LMNA (0.47) KMT2ANPC1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195278-A1 TRICYCLIC INHIBITORS OF INFLUENZA VIRUS ENDONUCLEASE WEBB THOMAS R (US) 2021-09-30 WO disclosed
WO-2019025156-A1 SUBSTITUTED PYRROLIDINONES, SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A KMT2A 2168/4885NPC1 3025/4885LMNA 3190/4885

“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.