SCHEMBL3875950

SCHEMBL3875950

O=C(NC1CCCCC1)c1cccc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD11B1 P28845 3/20 0.58
HPGD P15428 1/20 0.52
PPARG P37231 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP12 P39900 1/20 0.50
MMP14 P50281 1/20 0.50

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
SCHEMBL3883802 0.89 CYP19A1 (0.57) TSHRHTTLMNASMN1; SMN2KMT2A
SCHEMBL3872680 0.87 ALDH1A1 (0.64) HTTLMNASMN1; SMN2KMT2AHDAC2
SCHEMBL3876662 0.87 HSD11B1 (0.60) TSHRHTTLMNASMN1; SMN2KMT2A
SCHEMBL3873636 0.83 CYP19A1 (0.59) HTTHDAC2HDAC8HDAC6MMP12
SCHEMBL3875842 0.81 HTT (0.75) HTTLMNASMN1; SMN2OPRK1HDAC2
SCHEMBL3883213 0.81 CYP19A1 (0.57) HTTLMNASMN1; SMN2OPRK1HDAC2
SCHEMBL3873960 0.79 PKM (0.74) HTTLMNASMN1; SMN2KMT2AHSD11B1
SCHEMBL3872646 0.78 HSD11B1 (0.50) TSHRHTTLMNASMN1; SMN2KMT2A
SCHEMBL1928387 0.78 RAB9A (0.67) LMNASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL3873492 0.78 RAB9A (0.76) HTTLMNASMN1; SMN2KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814846-B1 11BETA-HSD1 INHIBITORS EVOTEC AG (DE) 2009-04-08 EP disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 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-20090069323-A1 11beta-hsdi inhibitors HSD3B1, HSD3B2, HSD11B1 TSHR 1363/4885HTT 4278/4885LMNA 2473/4885

“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.