SCHEMBL6000624

SCHEMBL6000624

CN(Cc1nc(-c2ccc(NCCc3ccc(C4CCC(C)(C)CC4)cc3)cc2)cs1)S(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.40
AVPR1B P47901 1/20 0.38
ADRB3 P13945 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
PTPRB P23467 2/20 0.35
CSNK2A1 P68400 1/20 0.35
STAT3 P40763 2/20 0.34
STAT1 P42224 1/20 0.34
STAT5B P51692 1/20 0.34
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 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
SCHEMBL5999078 0.93 AVPR1B (0.42) TRPM8AVPR1BADRB3MEN1KMT2A
SCHEMBL6000629 0.87 ADRB3 (0.40) ADRB3MEN1KMT2ANPC1POLB
SCHEMBL6000034 0.87 MEN1 (0.38) ADRB3MEN1KMT2ANPC1POLB
SCHEMBL6000621 0.86 TRPM8 (0.43) TRPM8AVPR1BSTAT3STAT1STAT5B
SCHEMBL6000811 0.85 MEN1 (0.36) ADRB3MEN1KMT2ANPC1POLB
SCHEMBL6000699 0.84 ALDH1A1 (0.41) ADRB3MEN1KMT2ANPC1POLB
SCHEMBL5999737 0.82 RAB9A (0.40) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL5999893 0.81 RAB9A (0.39) TRPM8MEN1KMT2ANPC1POLB
SCHEMBL6001062 0.81 RAB9A (0.39) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000038 0.80 MEN1 (0.40) ADRB3MEN1KMT2ANPC1POLB

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
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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 (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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 TRPM8 3407/4885AVPR1B 2630/4885ADRB3 483/4885

“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.