SCHEMBL2996775

SCHEMBL2996775

O=C1CCCN(S(=O)(=O)c2ccc(Cl)c(B(O)O)c2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 4/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KCNA3 P22001 2/20 0.43
KCNN4 O15554 1/20 0.43
AKR1C3 P42330 1/20 0.42
GNRHR P30968 2/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3001164 0.84 KMT2A (0.51) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL3001642 0.81 NPBWR1 (0.58) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL1495922 0.78 KCNN4 (0.64) KMT2AMEN1ALDH1A1TSHRATM
SCHEMBL25562023 0.76 KMT2A (0.54) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL3000456 0.75 NPC1 (0.59) KMT2AMEN1ALDH1A1LMNA
SCHEMBL31058472 0.75 KMT2A (0.54) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL5461708 0.74 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL2705507 0.73 KMT2A (0.68) KMT2AMEN1L3MBTL1KCNA3KCNN4
SCHEMBL7334845 0.71 CRHBP (0.47) KMT2AMEN1TSHRMAPK1ATM
SCHEMBL12662775 0.71 MEN1 (0.49) KMT2AMEN1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 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-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR KMT2A 1562/4885MEN1 592/4885ALDH1A1 2873/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR KMT2A 1562/4885MEN1 592/4885ALDH1A1 2873/4885

“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.