SCHEMBL1495920

SCHEMBL1495920

COC(=O)C1=C(O)c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
TP53 P04637 2/20 0.50
KCNN4 O15554 1/20 0.48
KCNA3 P22001 1/20 0.48
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTR6 P50406 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL1495972 0.89 KMT2A (0.47) MAPTTP53KCNN4KCNA3ALDH1A1
SCHEMBL13273471 0.87 KCNN4 (0.51) MAPTKCNN4KCNA3CYP2C9KMT2A
SCHEMBL6350658 0.85 MAPT (0.48) MAPTTP53CYP2C9POLB
SCHEMBL4868711 0.79 MAPT (0.43) MAPTTP53CYP2C9ALDH1A1KMT2A
SCHEMBL31058571 0.78 KCNN4 (0.51) MAPTKCNN4KCNA3CYP2C9KMT2A
SCHEMBL25562472 0.78 KCNN4 (0.51) MAPTKCNN4KCNA3CYP2C9KMT2A
SCHEMBL768700 0.76 KCNN4 (0.67) MAPTTP53KCNN4KCNA3CYP2C9
SCHEMBL17158242 0.72 KCNN4 (0.50) MAPTTP53KCNN4KCNA3CYP2C9
SCHEMBL2514016 0.72 KCNN4 (0.55) MAPTKCNN4KCNA3CYP2C9KMT2A
SCHEMBL12679669 0.72 KCNN4 (0.55) MAPTKCNN4KCNA3CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
EP-1632494-A1 Vasopressin v1a antagonists FERRING B.V. (NL) 2006-03-08 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B MAPT 4727/4885TP53 4084/4885KCNN4 511/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B MAPT 4727/4885TP53 4084/4885KCNN4 511/4885

“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.