SCHEMBL2754346

SCHEMBL2754346

Cc1cccc(C)c1Oc1cs[c]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OXTR P30559 1/20 0.31
SCN4A P35499 3/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
KCNK3 O14649 1/20 0.30
CACNA1F O60840 1/20 0.30
KCNK2 O95069 1/20 0.30
GBA1 P04062 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL2751810 0.81 KEAP1 (0.48) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL2753714 0.79
SCHEMBL2750381 0.75 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL2095700 0.74 MEN1 (0.53) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL2751219 0.73 SMN1; SMN2 (0.38) TSHRSMN1; SMN2CYP1A2
SCHEMBL2752261 0.72 HAO1 (0.47) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2110044 0.72 LTA4H (0.42) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL2098152 0.71 KDM4E (0.31)
SCHEMBL2750716 0.71 GAA (0.37) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL2753461 0.71 KMT2A (0.46) TSHRMEN1NPC1RAB9AKMT2A

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
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed
EP-2066643-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-10 EP disclosed
EP-2064190-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008062011-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed
WO-2008062012-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 HSP90AA1 2552/4885TSHR 4024/4885MEN1 2487/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 HSP90AA1 3079/4885TSHR 3106/4885MEN1 2802/4885

“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.